2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methoxy-N-pyridin-2-ylbenzamide

C26H28N4O4 — CID 157220767

IUPAC2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methoxy-N-pyridin-2-ylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(C(=O)CCCCCN)cc2)c(C(=O)Nc2ccccn2)c1
InChIInChI=1S/C26H28N4O4/c1-34-20-13-14-22(21(17-20)26(33)30-24-8-4-6-16-28-24)29-25(32)19-11-9-18(10-12-19)23(31)7-3-2-5-15-27/h4,6,8-14,16-17H,2-3,5,7,15,27H2,1H3,(H,29,32)(H,28,30,33)
InChIKeyFXHSYWFOQJTLLM-UHFFFAOYSA-N
MW460.53 g/mol
LogP4.30
Rot. Bonds11

About 2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methoxy-N-pyridin-2-ylbenzamide

2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methoxy-N-pyridin-2-ylbenzamide (PubChem CID 157220767) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is 2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methoxy-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methoxy-N-pyridin-2-ylbenzamide
PubChem CID157220767
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Name2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methoxy-N-pyridin-2-ylbenzamide
SMILESCOc1ccc(NC(=O)c2ccc(C(=O)CCCCCN)cc2)c(C(=O)Nc2ccccn2)c1
InChIInChI=1S/C26H28N4O4/c1-34-20-13-14-22(21(17-20)26(33)30-24-8-4-6-16-28-24)29-25(32)19-11-9-18(10-12-19)23(31)7-3-2-5-15-27/h4,6,8-14,16-17H,2-3,5,7,15,27H2,1H3,(H,29,32)(H,28,30,33)
InChIKeyFXHSYWFOQJTLLM-UHFFFAOYSA-N
XLogP4.30
TPSA123.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
methyl 4-[[4-methoxy-2-(pyridin-2-ylcarbamoyl)phenyl]carbamoyl]benzoate
CID 90266337
1-N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methoxyphenyl]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 143758587
2-[(4-methoxybenzoyl)amino]-N-(4-methyl-2-pyridinyl)benzamide
CID 1341629
N-(5-chloro-2-pyridinyl)-2-[(4-cyanobenzoyl)amino]-5-methoxybenzamide
CID 22596384
2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-pentoxy-N-pyridin-2-ylbenzamide
CID 90265466
2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]-N-pyridin-2-ylbenzamide
CID 157486493
2-[(4-hydroxybenzoyl)amino]-N-pyridin-2-ylbenzamide
CID 129127209
N-(2-amino-4-methoxyphenyl)-8-oxo-8-(4-phenylphenyl)octanamide
CID 58982124
N-(5-bromo-2-pyridinyl)-2-[(4-isocyanobenzoyl)amino]-5-methoxybenzamide
CID 18728045
N-(5-chloro-2-pyridinyl)-2-[[2-(1,2-dimethyl-3,5-dioxo-1,2,4-triazolidine-4-carbonyl)benzoyl]amino]-5-methoxybenzamide
CID 165367029
4-hydroxy-N-(4-methoxy-2-pyridinyl)benzamide
CID 121273557

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methoxy-N-pyridin-2-ylbenzamide?
The IUPAC name of 2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methoxy-N-pyridin-2-ylbenzamide (CID 157220767) is 2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methoxy-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methoxy-N-pyridin-2-ylbenzamide?
The canonical SMILES for 2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methoxy-N-pyridin-2-ylbenzamide is COc1ccc(NC(=O)c2ccc(C(=O)CCCCCN)cc2)c(C(=O)Nc2ccccn2)c1.
What is the InChIKey of 2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methoxy-N-pyridin-2-ylbenzamide?
The InChIKey is FXHSYWFOQJTLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-34-20-13-14-22(21(17-20)26(33)30-24-8-4-6-16-28-24)29-25(32)19-11-9-18(10-12-19)23(31)7-3-2-5-15-27/h4,6,8-14,16-17H,2-3,5,7,15,27H2,1H3,(H,29,32)(H,28,30,33).
What are the key properties of 2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methoxy-N-pyridin-2-ylbenzamide?
2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methoxy-N-pyridin-2-ylbenzamide has a molecular weight of 460.53 g/mol, XLogP of 4.30, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(6-aminohexanoyl)benzoyl]amino]-5-methoxy-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 157220767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).