carbanide;3-(3-hydroxypropanoylamino)propyl-methyl-bis[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azanium;N-[2-[2-[(4-methyl-6-oxo-3H-pyridin-2-ylidene)carbamoylamino]ethyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]amino]ethyl]-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide;trimethyl-[5-[methyl-bis[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]pentyl]azanium;trimethyl-[5-[methyl-[3-[methyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]-[5-(trimethylazaniumyl)pentyl]azaniumyl]propyl]-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]pentyl]azanium

C124H222N43O20- — CID 159204417

IUPACcarbanide;3-(3-hydroxypropanoylamino)propyl-methyl-bis[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azanium;N-[2-[2-[(4-methyl-6-oxo-3H-pyridin-2-ylidene)carbamoylamino]ethyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]amino]ethyl]-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide;trimethyl-[5-[methyl-bis[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]pentyl]azanium;trimethyl-[5-[methyl-[3-[methyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]-[5-(trimethylazaniumyl)pentyl]azaniumyl]propyl]-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]pentyl]azanium
SMILESCC1=CC(=O)NC(=NC(=O)NCCN(CCNC(=O)Cc2nc(C)cc(=O)[nH]2)CCNC(=O)Nc2nc(C)cc(=O)[nH]2)C1.Cc1cc(=O)[nH]c(NC(=O)NCCC[N+](C)(CCCCC[N+](C)(C)C)CCCNC(=O)Nc2nc(C)cc(=O)[nH]2)n1.Cc1cc(=O)[nH]c(NC(=O)NCCC[N+](C)(CCCCC[N+](C)(C)C)CCC[N+](C)(CCCCC[N+](C)(C)C)CCNC(=O)Nc2nc(C)cc(=O)[nH]2)n1.Cc1cc(=O)[nH]c(NC(=O)NCCC[N+](C)(CCCNC(=O)CCO)CCCNC(=O)Nc2nc(C)cc(=O)[nH]2)n1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C38H70N12O4.C27H46N10O4.C26H35N11O6.C25H40N10O6.8CH3/c1-31-29-33(51)43-35(41-31)45-37(53)39-19-17-25-49(9,23-15-11-13-21-47(3,4)5)26-18-27-50(10,24-16-12-14-22-48(6,7)8)28-20-40-38(54)46-36-42-32(2)30-34(52)44-36;1-20-18-22(38)32-24(30-20)34-26(40)28-12-10-16-37(6,15-9-7-8-14-36(3,4)5)17-11-13-29-27(41)35-25-31-21(2)19-23(39)33-25;1-15-10-18(32-21(39)11-15)34-25(42)28-5-8-37(7-4-27-20(38)14-19-30-16(2)12-22(40)33-19)9-6-29-26(43)36-24-31-17(3)13-23(41)35-24;1-17-15-20(38)31-22(29-17)33-24(40)27-9-5-12-35(3,11-4-8-26-19(37)7-14-36)13-6-10-28-25(41)34-23-30-18(2)16-21(39)32-23;;;;;;;;/h29-30H,11-28H2,1-10H3,(H2-4,39,40,41,42,43,44,45,46,51,52,53,54);18-19H,7-17H2,1-6H3,(H4-2,28,29,30,31,32,33,34,35,38,39,40,41);11-13H,4-10,14H2,1-3H3,(H,27,38)(H,30,33,40)(H2,28,32,34,39,42)(H3,29,31,35,36,41,43);15-16,36H,4-14H2,1-3H3,(H6-,26,27,28,29,30,31,32,33,34,37,38,39,40,41);8*1H3/q;;;;8*-1/p+7
InChIKeyKPRREIAENOYFBX-UHFFFAOYSA-U
MW2635.42 g/mol
LogP6.31
Rot. Bonds69

About carbanide;3-(3-hydroxypropanoylamino)propyl-methyl-bis[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azanium;N-[2-[2-[(4-methyl-6-oxo-3H-pyridin-2-ylidene)carbamoylamino]ethyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]amino]ethyl]-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide;trimethyl-[5-[methyl-bis[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]pentyl]azanium;trimethyl-[5-[methyl-[3-[methyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]-[5-(trimethylazaniumyl)pentyl]azaniumyl]propyl]-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]pentyl]azanium

carbanide;3-(3-hydroxypropanoylamino)propyl-methyl-bis[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azanium;N-[2-[2-[(4-methyl-6-oxo-3H-pyridin-2-ylidene)carbamoylamino]ethyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]amino]ethyl]-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide;trimethyl-[5-[methyl-bis[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]pentyl]azanium;trimethyl-[5-[methyl-[3-[methyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]-[5-(trimethylazaniumyl)pentyl]azaniumyl]propyl]-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]pentyl]azanium (PubChem CID 159204417) has the molecular formula C124H222N43O20- and a molecular weight of 2635.42 g/mol. Its IUPAC name is carbanide;3-(3-hydroxypropanoylamino)propyl-methyl-bis[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azanium;N-[2-[2-[(4-methyl-6-oxo-3H-pyridin-2-ylidene)carbamoylamino]ethyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]amino]ethyl]-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide;trimethyl-[5-[methyl-bis[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]pentyl]azanium;trimethyl-[5-[methyl-[3-[methyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]-[5-(trimethylazaniumyl)pentyl]azaniumyl]propyl]-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]pentyl]azanium.

Molecular Properties

Compound Namecarbanide;3-(3-hydroxypropanoylamino)propyl-methyl-bis[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azanium;N-[2-[2-[(4-methyl-6-oxo-3H-pyridin-2-ylidene)carbamoylamino]ethyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]amino]ethyl]-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide;trimethyl-[5-[methyl-bis[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]pentyl]azanium;trimethyl-[5-[methyl-[3-[methyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]-[5-(trimethylazaniumyl)pentyl]azaniumyl]propyl]-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]pentyl]azanium
PubChem CID159204417
Molecular FormulaC124H222N43O20-
Molecular Weight2635.42 g/mol
Exact Mass2633.77
IUPAC Namecarbanide;3-(3-hydroxypropanoylamino)propyl-methyl-bis[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azanium;N-[2-[2-[(4-methyl-6-oxo-3H-pyridin-2-ylidene)carbamoylamino]ethyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]amino]ethyl]-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide;trimethyl-[5-[methyl-bis[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]pentyl]azanium;trimethyl-[5-[methyl-[3-[methyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]-[5-(trimethylazaniumyl)pentyl]azaniumyl]propyl]-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]pentyl]azanium
SMILESCC1=CC(=O)NC(=NC(=O)NCCN(CCNC(=O)Cc2nc(C)cc(=O)[nH]2)CCNC(=O)Nc2nc(C)cc(=O)[nH]2)C1.Cc1cc(=O)[nH]c(NC(=O)NCCC[N+](C)(CCCCC[N+](C)(C)C)CCCNC(=O)Nc2nc(C)cc(=O)[nH]2)n1.Cc1cc(=O)[nH]c(NC(=O)NCCC[N+](C)(CCCCC[N+](C)(C)C)CCC[N+](C)(CCCCC[N+](C)(C)C)CCNC(=O)Nc2nc(C)cc(=O)[nH]2)n1.Cc1cc(=O)[nH]c(NC(=O)NCCC[N+](C)(CCCNC(=O)CCO)CCCNC(=O)Nc2nc(C)cc(=O)[nH]2)n1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C38H70N12O4.C27H46N10O4.C26H35N11O6.C25H40N10O6.8CH3/c1-31-29-33(51)43-35(41-31)45-37(53)39-19-17-25-49(9,23-15-11-13-21-47(3,4)5)26-18-27-50(10,24-16-12-14-22-48(6,7)8)28-20-40-38(54)46-36-42-32(2)30-34(52)44-36;1-20-18-22(38)32-24(30-20)34-26(40)28-12-10-16-37(6,15-9-7-8-14-36(3,4)5)17-11-13-29-27(41)35-25-31-21(2)19-23(39)33-25;1-15-10-18(32-21(39)11-15)34-25(42)28-5-8-37(7-4-27-20(38)14-19-30-16(2)12-22(40)33-19)9-6-29-26(43)36-24-31-17(3)13-23(41)35-24;1-17-15-20(38)31-22(29-17)33-24(40)27-9-5-12-35(3,11-4-8-26-19(37)7-14-36)13-6-10-28-25(41)34-23-30-18(2)16-21(39)32-23;;;;;;;;/h29-30H,11-28H2,1-10H3,(H2-4,39,40,41,42,43,44,45,46,51,52,53,54);18-19H,7-17H2,1-6H3,(H4-2,28,29,30,31,32,33,34,35,38,39,40,41);11-13H,4-10,14H2,1-3H3,(H,27,38)(H,30,33,40)(H2,28,32,34,39,42)(H3,29,31,35,36,41,43);15-16,36H,4-14H2,1-3H3,(H6-,26,27,28,29,30,31,32,33,34,37,38,39,40,41);8*1H3/q;;;;8*-1/p+7
InChIKeyKPRREIAENOYFBX-UHFFFAOYSA-U
XLogP6.31
TPSA806.14 Ų
H-Bond Donors27
H-Bond Acceptors29
Rotatable Bonds69
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002635.42
LogP ≤ 56.31
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze carbanide;3-(3-hydroxypropanoylamino)propyl-methyl-bis[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azanium;N-[2-[2-[(4-methyl-6-oxo-3H-pyridin-2-ylidene)carbamoylamino]ethyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]amino]ethyl]-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide;trimethyl-[5-[methyl-bis[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]pentyl]azanium;trimethyl-[5-[methyl-[3-[methyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]-[5-(trimethylazaniumyl)pentyl]azaniumyl]propyl]-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]pentyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(dimethylamino)pentyl-methyl-[3-[methyl-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]-[5-(trimethylazaniumyl)pentyl]azaniumyl]propyl]-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]azanium
CID 136630335
1-[3-(dimethylamino)propyl]-3-[6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexyl]urea
CID 136636053
1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-[3-[N-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]anilino]propyl]urea
CID 136600293
1-[2-[2-[carbamoyl-(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]amino]ethyl]-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
CID 137154242
O-[4-[4-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]butylamino]-4-oxobutyl] N-iminocarbamothioate;hydrochloride
CID 141373564
1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-3-(5-oxohept-6-enyl)urea;yttrium
CID 148507790
1-(6-methyl-1,4-dihydropyrimidin-2-yl)-3-[2-[methyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]amino]ethyl]urea
CID 166785587
1-(2-isocyanatoethyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
CID 139347372
[6-ethyl-10-[[9-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-8-oxononyl]carbamoyloxy]decyl] 8-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]octanoate
CID 157425233
tert-butyl 4-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyldisulfanyl]butanoate
CID 161253841
1-[15-methyl-12-(3-methylbutyl)-4-[11-methyl-8-(3-methylbutyl)-4-[7-methyl-4-(3-methylbutyl)octyl]dodecyl]-8-[7-methyl-4-(3-methylbutyl)octyl]hexadecyl]-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
CID 136742141
[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]methyl 2-methylpropanoate
CID 135965731

Frequently Asked Questions

What is the IUPAC name of carbanide;3-(3-hydroxypropanoylamino)propyl-methyl-bis[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azanium;N-[2-[2-[(4-methyl-6-oxo-3H-pyridin-2-ylidene)carbamoylamino]ethyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]amino]ethyl]-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide;trimethyl-[5-[methyl-bis[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]pentyl]azanium;trimethyl-[5-[methyl-[3-[methyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]-[5-(trimethylazaniumyl)pentyl]azaniumyl]propyl]-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]pentyl]azanium?
The IUPAC name of carbanide;3-(3-hydroxypropanoylamino)propyl-methyl-bis[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azanium;N-[2-[2-[(4-methyl-6-oxo-3H-pyridin-2-ylidene)carbamoylamino]ethyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]amino]ethyl]-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide;trimethyl-[5-[methyl-bis[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]pentyl]azanium;trimethyl-[5-[methyl-[3-[methyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]-[5-(trimethylazaniumyl)pentyl]azaniumyl]propyl]-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]pentyl]azanium (CID 159204417) is carbanide;3-(3-hydroxypropanoylamino)propyl-methyl-bis[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azanium;N-[2-[2-[(4-methyl-6-oxo-3H-pyridin-2-ylidene)carbamoylamino]ethyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]amino]ethyl]-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide;trimethyl-[5-[methyl-bis[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]pentyl]azanium;trimethyl-[5-[methyl-[3-[methyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]-[5-(trimethylazaniumyl)pentyl]azaniumyl]propyl]-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]pentyl]azanium.
What is the SMILES notation for carbanide;3-(3-hydroxypropanoylamino)propyl-methyl-bis[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azanium;N-[2-[2-[(4-methyl-6-oxo-3H-pyridin-2-ylidene)carbamoylamino]ethyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]amino]ethyl]-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide;trimethyl-[5-[methyl-bis[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]pentyl]azanium;trimethyl-[5-[methyl-[3-[methyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]-[5-(trimethylazaniumyl)pentyl]azaniumyl]propyl]-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]pentyl]azanium?
The canonical SMILES for carbanide;3-(3-hydroxypropanoylamino)propyl-methyl-bis[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azanium;N-[2-[2-[(4-methyl-6-oxo-3H-pyridin-2-ylidene)carbamoylamino]ethyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]amino]ethyl]-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide;trimethyl-[5-[methyl-bis[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]pentyl]azanium;trimethyl-[5-[methyl-[3-[methyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]-[5-(trimethylazaniumyl)pentyl]azaniumyl]propyl]-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]pentyl]azanium is CC1=CC(=O)NC(=NC(=O)NCCN(CCNC(=O)Cc2nc(C)cc(=O)[nH]2)CCNC(=O)Nc2nc(C)cc(=O)[nH]2)C1.Cc1cc(=O)[nH]c(NC(=O)NCCC[N+](C)(CCCCC[N+](C)(C)C)CCCNC(=O)Nc2nc(C)cc(=O)[nH]2)n1.Cc1cc(=O)[nH]c(NC(=O)NCCC[N+](C)(CCCCC[N+](C)(C)C)CCC[N+](C)(CCCCC[N+](C)(C)C)CCNC(=O)Nc2nc(C)cc(=O)[nH]2)n1.Cc1cc(=O)[nH]c(NC(=O)NCCC[N+](C)(CCCNC(=O)CCO)CCCNC(=O)Nc2nc(C)cc(=O)[nH]2)n1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].
What is the InChIKey of carbanide;3-(3-hydroxypropanoylamino)propyl-methyl-bis[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azanium;N-[2-[2-[(4-methyl-6-oxo-3H-pyridin-2-ylidene)carbamoylamino]ethyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]amino]ethyl]-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide;trimethyl-[5-[methyl-bis[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]pentyl]azanium;trimethyl-[5-[methyl-[3-[methyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]-[5-(trimethylazaniumyl)pentyl]azaniumyl]propyl]-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]pentyl]azanium?
The InChIKey is KPRREIAENOYFBX-UHFFFAOYSA-U. The full InChI is InChI=1S/C38H70N12O4.C27H46N10O4.C26H35N11O6.C25H40N10O6.8CH3/c1-31-29-33(51)43-35(41-31)45-37(53)39-19-17-25-49(9,23-15-11-13-21-47(3,4)5)26-18-27-50(10,24-16-12-14-22-48(6,7)8)28-20-40-38(54)46-36-42-32(2)30-34(52)44-36;1-20-18-22(38)32-24(30-20)34-26(40)28-12-10-16-37(6,15-9-7-8-14-36(3,4)5)17-11-13-29-27(41)35-25-31-21(2)19-23(39)33-25;1-15-10-18(32-21(39)11-15)34-25(42)28-5-8-37(7-4-27-20(38)14-19-30-16(2)12-22(40)33-19)9-6-29-26(43)36-24-31-17(3)13-23(41)35-24;1-17-15-20(38)31-22(29-17)33-24(40)27-9-5-12-35(3,11-4-8-26-19(37)7-14-36)13-6-10-28-25(41)34-23-30-18(2)16-21(39)32-23;;;;;;;;/h29-30H,11-28H2,1-10H3,(H2-4,39,40,41,42,43,44,45,46,51,52,53,54);18-19H,7-17H2,1-6H3,(H4-2,28,29,30,31,32,33,34,35,38,39,40,41);11-13H,4-10,14H2,1-3H3,(H,27,38)(H,30,33,40)(H2,28,32,34,39,42)(H3,29,31,35,36,41,43);15-16,36H,4-14H2,1-3H3,(H6-,26,27,28,29,30,31,32,33,34,37,38,39,40,41);8*1H3/q;;;;8*-1/p+7.
What are the key properties of carbanide;3-(3-hydroxypropanoylamino)propyl-methyl-bis[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azanium;N-[2-[2-[(4-methyl-6-oxo-3H-pyridin-2-ylidene)carbamoylamino]ethyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]amino]ethyl]-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide;trimethyl-[5-[methyl-bis[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]pentyl]azanium;trimethyl-[5-[methyl-[3-[methyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]-[5-(trimethylazaniumyl)pentyl]azaniumyl]propyl]-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]pentyl]azanium?
carbanide;3-(3-hydroxypropanoylamino)propyl-methyl-bis[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azanium;N-[2-[2-[(4-methyl-6-oxo-3H-pyridin-2-ylidene)carbamoylamino]ethyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]amino]ethyl]-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide;trimethyl-[5-[methyl-bis[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]pentyl]azanium;trimethyl-[5-[methyl-[3-[methyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]-[5-(trimethylazaniumyl)pentyl]azaniumyl]propyl]-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]pentyl]azanium has a molecular weight of 2635.42 g/mol, XLogP of 6.31, 69 rotatable bonds, 27 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;3-(3-hydroxypropanoylamino)propyl-methyl-bis[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azanium;N-[2-[2-[(4-methyl-6-oxo-3H-pyridin-2-ylidene)carbamoylamino]ethyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]amino]ethyl]-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide;trimethyl-[5-[methyl-bis[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]pentyl]azanium;trimethyl-[5-[methyl-[3-[methyl-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]ethyl]-[5-(trimethylazaniumyl)pentyl]azaniumyl]propyl]-[3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]propyl]azaniumyl]pentyl]azanium is sourced from PubChem (CID 159204417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).