4-[[2-(5-amino-2-pyridinyl)acetyl]amino]benzoic acid

C14H13N3O3 — CID 107338179

IUPAC4-[[2-(5-amino-2-pyridinyl)acetyl]amino]benzoic acid
SMILESNc1ccc(CC(=O)Nc2ccc(C(=O)O)cc2)nc1
InChIInChI=1S/C14H13N3O3/c15-10-3-6-12(16-8-10)7-13(18)17-11-4-1-9(2-5-11)14(19)20/h1-6,8H,7,15H2,(H,17,18)(H,19,20)
InChIKeyHJOAGRSPEIWNFM-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.54
Rot. Bonds4

About 4-[[2-(5-amino-2-pyridinyl)acetyl]amino]benzoic acid

4-[[2-(5-amino-2-pyridinyl)acetyl]amino]benzoic acid (PubChem CID 107338179) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 4-[[2-(5-amino-2-pyridinyl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-(5-amino-2-pyridinyl)acetyl]amino]benzoic acid
PubChem CID107338179
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name4-[[2-(5-amino-2-pyridinyl)acetyl]amino]benzoic acid
SMILESNc1ccc(CC(=O)Nc2ccc(C(=O)O)cc2)nc1
InChIInChI=1S/C14H13N3O3/c15-10-3-6-12(16-8-10)7-13(18)17-11-4-1-9(2-5-11)14(19)20/h1-6,8H,7,15H2,(H,17,18)(H,19,20)
InChIKeyHJOAGRSPEIWNFM-UHFFFAOYSA-N
XLogP1.54
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-(5-amino-2-pyridinyl)acetamide
CID 107337507
4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-N-tert-butylbenzamide;hydrochloride
CID 120619858
2-(5-amino-2-pyridinyl)-N-(4-propan-2-ylphenyl)acetamide
CID 107337408
4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3-chlorobenzoic acid
CID 107338917
2-(5-amino-2-pyridinyl)-N-(3,4-dichlorophenyl)acetamide
CID 107337411
2-(5-amino-2-pyridinyl)-N-(6-fluoro-3-pyridinyl)acetamide
CID 114052733
2-(5-amino-2-pyridinyl)-N-[4-(cyanomethyl)phenyl]acetamide
CID 107337812
2-(5-amino-2-pyridinyl)-N-(3,5-difluorophenyl)acetamide
CID 107337468
2-(5-amino-2-pyridinyl)-N-(3,4,5-trifluorophenyl)acetamide
CID 107338694
2-(5-amino-2-pyridinyl)-N-(4-cyclopentylsulfanylphenyl)acetamide
CID 120623308
2-[5-[[2-(4-aminophenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107340926
2-(5-amino-2-pyridinyl)-N-(3,5-dimethoxyphenyl)acetamide
CID 107337401

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-amino-2-pyridinyl)acetyl]amino]benzoic acid?
The IUPAC name of 4-[[2-(5-amino-2-pyridinyl)acetyl]amino]benzoic acid (CID 107338179) is 4-[[2-(5-amino-2-pyridinyl)acetyl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-(5-amino-2-pyridinyl)acetyl]amino]benzoic acid?
The canonical SMILES for 4-[[2-(5-amino-2-pyridinyl)acetyl]amino]benzoic acid is Nc1ccc(CC(=O)Nc2ccc(C(=O)O)cc2)nc1.
What is the InChIKey of 4-[[2-(5-amino-2-pyridinyl)acetyl]amino]benzoic acid?
The InChIKey is HJOAGRSPEIWNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c15-10-3-6-12(16-8-10)7-13(18)17-11-4-1-9(2-5-11)14(19)20/h1-6,8H,7,15H2,(H,17,18)(H,19,20).
What are the key properties of 4-[[2-(5-amino-2-pyridinyl)acetyl]amino]benzoic acid?
4-[[2-(5-amino-2-pyridinyl)acetyl]amino]benzoic acid has a molecular weight of 271.28 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-amino-2-pyridinyl)acetyl]amino]benzoic acid is sourced from PubChem (CID 107338179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).