4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3-chlorobenzoic acid

C14H12ClN3O3 — CID 107338917

IUPAC4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3-chlorobenzoic acid
SMILESNc1ccc(CC(=O)Nc2ccc(C(=O)O)cc2Cl)nc1
InChIInChI=1S/C14H12ClN3O3/c15-11-5-8(14(20)21)1-4-12(11)18-13(19)6-10-3-2-9(16)7-17-10/h1-5,7H,6,16H2,(H,18,19)(H,20,21)
InChIKeyWBEOSEDAWMKLBT-UHFFFAOYSA-N
MW305.72 g/mol
LogP2.20
Rot. Bonds4

About 4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3-chlorobenzoic acid

4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3-chlorobenzoic acid (PubChem CID 107338917) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3-chlorobenzoic acid.

Molecular Properties

Compound Name4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3-chlorobenzoic acid
PubChem CID107338917
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3-chlorobenzoic acid
SMILESNc1ccc(CC(=O)Nc2ccc(C(=O)O)cc2Cl)nc1
InChIInChI=1S/C14H12ClN3O3/c15-11-5-8(14(20)21)1-4-12(11)18-13(19)6-10-3-2-9(16)7-17-10/h1-5,7H,6,16H2,(H,18,19)(H,20,21)
InChIKeyWBEOSEDAWMKLBT-UHFFFAOYSA-N
XLogP2.20
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-2-pyridinyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 107337386
2-(5-amino-2-pyridinyl)-N-(2-chlorophenyl)acetamide
CID 107337448
4-[[2-(5-amino-2-pyridinyl)acetyl]amino]benzoic acid
CID 107338179
2-(5-amino-2-pyridinyl)-N-(2-chloro-4-nitrophenyl)acetamide
CID 107337756
2-(5-amino-2-pyridinyl)-N-(2-chloro-5-fluorophenyl)acetamide
CID 107528543
4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3-methylbenzamide
CID 107337787
2-(5-amino-2-pyridinyl)-N-(3,4-dichlorophenyl)acetamide
CID 107337411
2-(5-amino-2-pyridinyl)-N-(3-chloro-2-fluorophenyl)acetamide
CID 107337541
2-(5-amino-2-pyridinyl)-N-(2,6-dichlorophenyl)acetamide
CID 107339031
2-(5-amino-2-pyridinyl)-N-(2-chloro-5-cyanophenyl)acetamide
CID 107339269
3-[[2-(5-amino-2-pyridinyl)acetyl]amino]-4-fluorobenzamide
CID 107337783
2-[2-[[2-(5-amino-2-pyridinyl)acetyl]amino]phenyl]acetic acid
CID 107338676

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3-chlorobenzoic acid?
The IUPAC name of 4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3-chlorobenzoic acid (CID 107338917) is 4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3-chlorobenzoic acid.
What is the SMILES notation for 4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3-chlorobenzoic acid?
The canonical SMILES for 4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3-chlorobenzoic acid is Nc1ccc(CC(=O)Nc2ccc(C(=O)O)cc2Cl)nc1.
What is the InChIKey of 4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3-chlorobenzoic acid?
The InChIKey is WBEOSEDAWMKLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c15-11-5-8(14(20)21)1-4-12(11)18-13(19)6-10-3-2-9(16)7-17-10/h1-5,7H,6,16H2,(H,18,19)(H,20,21).
What are the key properties of 4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3-chlorobenzoic acid?
4-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3-chlorobenzoic acid has a molecular weight of 305.72 g/mol, XLogP of 2.20, 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]-3-chlorobenzoic acid is sourced from PubChem (CID 107338917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).