2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(8-aminooctanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(5-aminopentanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;methane

C104H116N16O12 — CID 161120671

IUPAC2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(8-aminooctanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(5-aminopentanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;methane
SMILESC.Cc1ccc(NC(=O)c2ccc(C(=O)CCCCCCCN)cc2)c(C(=O)Nc2ccccn2)c1.Cc1ccc(NC(=O)c2ccc(C(=O)CCCCCN)cc2)c(C(=O)Nc2ccccn2)c1.Cc1ccc(NC(=O)c2ccc(C(=O)CCCCN)cc2)c(C(=O)Nc2ccccn2)c1.Cc1ccc(NC(=O)c2ccc(OCCCCN)cc2)c(C(=O)Nc2ccccn2)c1
InChIInChI=1S/C28H32N4O3.C26H28N4O3.C25H26N4O3.C24H26N4O3.CH4/c1-20-11-16-24(23(19-20)28(35)32-26-10-6-8-18-30-26)31-27(34)22-14-12-21(13-15-22)25(33)9-5-3-2-4-7-17-29;1-18-9-14-22(21(17-18)26(33)30-24-8-4-6-16-28-24)29-25(32)20-12-10-19(11-13-20)23(31)7-3-2-5-15-27;1-17-8-13-21(20(16-17)25(32)29-23-7-3-5-15-27-23)28-24(31)19-11-9-18(10-12-19)22(30)6-2-4-14-26;1-17-7-12-21(20(16-17)24(30)28-22-6-2-4-14-26-22)27-23(29)18-8-10-19(11-9-18)31-15-5-3-13-25;/h6,8,10-16,18-19H,2-5,7,9,17,29H2,1H3,(H,31,34)(H,30,32,35);4,6,8-14,16-17H,2-3,5,7,15,27H2,1H3,(H,29,32)(H,28,30,33);3,5,7-13,15-16H,2,4,6,14,26H2,1H3,(H,28,31)(H,27,29,32);2,4,6-12,14,16H,3,5,13,15,25H2,1H3,(H,27,29)(H,26,28,30);1H4
InChIKeyUKXGJZKIRKUKCQ-UHFFFAOYSA-N
MW1782.17 g/mol
LogP18.83
Rot. Bonds40

About 2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(8-aminooctanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(5-aminopentanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;methane

2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(8-aminooctanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(5-aminopentanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;methane (PubChem CID 161120671) has the molecular formula C104H116N16O12 and a molecular weight of 1782.17 g/mol. Its IUPAC name is 2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(8-aminooctanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(5-aminopentanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;methane.

Molecular Properties

Compound Name2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(8-aminooctanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(5-aminopentanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;methane
PubChem CID161120671
Molecular FormulaC104H116N16O12
Molecular Weight1782.17 g/mol
Exact Mass1780.90
IUPAC Name2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(8-aminooctanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(5-aminopentanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;methane
SMILESC.Cc1ccc(NC(=O)c2ccc(C(=O)CCCCCCCN)cc2)c(C(=O)Nc2ccccn2)c1.Cc1ccc(NC(=O)c2ccc(C(=O)CCCCCN)cc2)c(C(=O)Nc2ccccn2)c1.Cc1ccc(NC(=O)c2ccc(C(=O)CCCCN)cc2)c(C(=O)Nc2ccccn2)c1.Cc1ccc(NC(=O)c2ccc(OCCCCN)cc2)c(C(=O)Nc2ccccn2)c1
InChIInChI=1S/C28H32N4O3.C26H28N4O3.C25H26N4O3.C24H26N4O3.CH4/c1-20-11-16-24(23(19-20)28(35)32-26-10-6-8-18-30-26)31-27(34)22-14-12-21(13-15-22)25(33)9-5-3-2-4-7-17-29;1-18-9-14-22(21(17-18)26(33)30-24-8-4-6-16-28-24)29-25(32)20-12-10-19(11-13-20)23(31)7-3-2-5-15-27;1-17-8-13-21(20(16-17)25(32)29-23-7-3-5-15-27-23)28-24(31)19-11-9-18(10-12-19)22(30)6-2-4-14-26;1-17-7-12-21(20(16-17)24(30)28-22-6-2-4-14-26-22)27-23(29)18-8-10-19(11-9-18)31-15-5-3-13-25;/h6,8,10-16,18-19H,2-5,7,9,17,29H2,1H3,(H,31,34)(H,30,32,35);4,6,8-14,16-17H,2-3,5,7,15,27H2,1H3,(H,29,32)(H,28,30,33);3,5,7-13,15-16H,2,4,6,14,26H2,1H3,(H,28,31)(H,27,29,32);2,4,6-12,14,16H,3,5,13,15,25H2,1H3,(H,27,29)(H,26,28,30);1H4
InChIKeyUKXGJZKIRKUKCQ-UHFFFAOYSA-N
XLogP18.83
TPSA448.88 Ų
H-Bond Donors12
H-Bond Acceptors20
Rotatable Bonds40
Heavy Atoms132
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001782.17
LogP ≤ 518.83
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(8-aminooctanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(5-aminopentanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;methane with MolForge

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Related Compounds

2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methoxy-N-pyridin-2-ylbenzamide
CID 157220767
methyl 4-[[4-methoxy-2-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate
CID 90266337
2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-pentoxy-N-pyridin-2-ylbenzamide
CID 90265466
ethyl 2-[(4-hexoxybenzoyl)amino]benzoate
CID 19170768
N-[4-(4-aminobutoxy)-2-[hydroxy-(pyridin-2-ylamino)methyl]phenyl]-4-(N,N-dimethylcarbamimidoyl)benzamide
CID 166866389
4-(4-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide
CID 35034572
2-[(4-methoxybenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide
CID 1341629
N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methylbenzamide
CID 22596418
2-[(4-hydroxybenzoyl)amino]-N-pyridin-2-ylbenzamide
CID 129127209
2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]-N-pyridin-2-ylbenzamide
CID 157486493
N-(2,5-dimethylphenyl)-4-pentoxybenzamide
CID 4935012
2-[(4-methoxybenzoyl)amino]-N-(5-methyl-2-pyridinyl)benzamide
CID 35344467

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(8-aminooctanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(5-aminopentanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;methane?
The IUPAC name of 2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(8-aminooctanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(5-aminopentanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;methane (CID 161120671) is 2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(8-aminooctanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(5-aminopentanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;methane.
What is the SMILES notation for 2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(8-aminooctanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(5-aminopentanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;methane?
The canonical SMILES for 2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(8-aminooctanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(5-aminopentanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;methane is C.Cc1ccc(NC(=O)c2ccc(C(=O)CCCCCCCN)cc2)c(C(=O)Nc2ccccn2)c1.Cc1ccc(NC(=O)c2ccc(C(=O)CCCCCN)cc2)c(C(=O)Nc2ccccn2)c1.Cc1ccc(NC(=O)c2ccc(C(=O)CCCCN)cc2)c(C(=O)Nc2ccccn2)c1.Cc1ccc(NC(=O)c2ccc(OCCCCN)cc2)c(C(=O)Nc2ccccn2)c1.
What is the InChIKey of 2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(8-aminooctanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(5-aminopentanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;methane?
The InChIKey is UKXGJZKIRKUKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3.C26H28N4O3.C25H26N4O3.C24H26N4O3.CH4/c1-20-11-16-24(23(19-20)28(35)32-26-10-6-8-18-30-26)31-27(34)22-14-12-21(13-15-22)25(33)9-5-3-2-4-7-17-29;1-18-9-14-22(21(17-18)26(33)30-24-8-4-6-16-28-24)29-25(32)20-12-10-19(11-13-20)23(31)7-3-2-5-15-27;1-17-8-13-21(20(16-17)25(32)29-23-7-3-5-15-27-23)28-24(31)19-11-9-18(10-12-19)22(30)6-2-4-14-26;1-17-7-12-21(20(16-17)24(30)28-22-6-2-4-14-26-22)27-23(29)18-8-10-19(11-9-18)31-15-5-3-13-25;/h6,8,10-16,18-19H,2-5,7,9,17,29H2,1H3,(H,31,34)(H,30,32,35);4,6,8-14,16-17H,2-3,5,7,15,27H2,1H3,(H,29,32)(H,28,30,33);3,5,7-13,15-16H,2,4,6,14,26H2,1H3,(H,28,31)(H,27,29,32);2,4,6-12,14,16H,3,5,13,15,25H2,1H3,(H,27,29)(H,26,28,30);1H4.
What are the key properties of 2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(8-aminooctanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(5-aminopentanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;methane?
2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(8-aminooctanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(5-aminopentanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;methane has a molecular weight of 1782.17 g/mol, XLogP of 18.83, 40 rotatable bonds, 12 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(8-aminooctanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;2-[[4-(5-aminopentanoyl)benzoyl]amino]-5-methyl-N-pyridin-2-ylbenzamide;methane is sourced from PubChem (CID 161120671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).