2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methoxy-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

C104H116N16O13 — CID 161444886

IUPAC2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methoxy-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.COc1ccc(NC(=O)c2ccc(OCCCCN)cc2)c(C(=O)Nc2ccccn2)c1.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
InChIInChI=1S/C28H32N4O3.C26H28N4O3.C25H26N4O3.C24H26N4O4.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;1-31-19-11-12-21(20(16-19)24(30)28-22-6-2-4-14-26-22)27-23(29)17-7-9-18(10-8-17)32-15-5-3-13-25;/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
InChIKeyVZTMJJXZDPGSNG-UHFFFAOYSA-N
MW1798.17 g/mol
LogP18.53
Rot. Bonds41

About 2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methoxy-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-methoxy-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 161444886) has the molecular formula C104H116N16O13 and a molecular weight of 1798.17 g/mol. Its IUPAC name is 2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methoxy-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-methoxy-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 CID161444886
Molecular FormulaC104H116N16O13
Molecular Weight1798.17 g/mol
Exact Mass1796.89
IUPAC Name2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methoxy-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.COc1ccc(NC(=O)c2ccc(OCCCCN)cc2)c(C(=O)Nc2ccccn2)c1.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
InChIInChI=1S/C28H32N4O3.C26H28N4O3.C25H26N4O3.C24H26N4O4.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;1-31-19-11-12-21(20(16-19)24(30)28-22-6-2-4-14-26-22)27-23(29)17-7-9-18(10-8-17)32-15-5-3-13-25;/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
InChIKeyVZTMJJXZDPGSNG-UHFFFAOYSA-N
XLogP18.53
TPSA458.11 Ų
H-Bond Donors12
H-Bond Acceptors21
Rotatable Bonds41
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001798.17
LogP ≤ 518.53
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methoxy-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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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methoxy-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-methoxy-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 161444886) is 2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methoxy-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-methoxy-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-methoxy-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.COc1ccc(NC(=O)c2ccc(OCCCCN)cc2)c(C(=O)Nc2ccccn2)c1.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.
What is the InChIKey of 2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methoxy-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 VZTMJJXZDPGSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O3.C26H28N4O3.C25H26N4O3.C24H26N4O4.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;1-31-19-11-12-21(20(16-19)24(30)28-22-6-2-4-14-26-22)27-23(29)17-7-9-18(10-8-17)32-15-5-3-13-25;/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-methoxy-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-methoxy-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 1798.17 g/mol, XLogP of 18.53, 41 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-aminobutoxy)benzoyl]amino]-5-methoxy-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 161444886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).