2-[4-[(5-aminopyridine-3-carbonyl)amino]phenyl]acetic acid

C14H13N3O3 — CID 110488449

IUPAC2-[4-[(5-aminopyridine-3-carbonyl)amino]phenyl]acetic acid
SMILESNc1cncc(C(=O)Nc2ccc(CC(=O)O)cc2)c1
InChIInChI=1S/C14H13N3O3/c15-11-6-10(7-16-8-11)14(20)17-12-3-1-9(2-4-12)5-13(18)19/h1-4,6-8H,5,15H2,(H,17,20)(H,18,19)
InChIKeyMSXOODREIUHPTB-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.54
Rot. Bonds4

About 2-[4-[(5-aminopyridine-3-carbonyl)amino]phenyl]acetic acid

2-[4-[(5-aminopyridine-3-carbonyl)amino]phenyl]acetic acid (PubChem CID 110488449) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-[4-[(5-aminopyridine-3-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-aminopyridine-3-carbonyl)amino]phenyl]acetic acid
PubChem CID110488449
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name2-[4-[(5-aminopyridine-3-carbonyl)amino]phenyl]acetic acid
SMILESNc1cncc(C(=O)Nc2ccc(CC(=O)O)cc2)c1
InChIInChI=1S/C14H13N3O3/c15-11-6-10(7-16-8-11)14(20)17-12-3-1-9(2-4-12)5-13(18)19/h1-4,6-8H,5,15H2,(H,17,20)(H,18,19)
InChIKeyMSXOODREIUHPTB-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-aminophenyl)-5-hydroxypyridine-3-carboxamide
CID 63851550
2-[4-[[2-(aminomethyl)pyridine-4-carbonyl]amino]phenyl]acetic acid
CID 114326175
2-[4-[(3-fluorobenzoyl)amino]phenyl]acetic acid
CID 16792926
N-(4-ethylphenyl)-5-hydroxypyridine-3-carboxamide
CID 55258455
5-N-(4-ethylphenyl)-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107992
5-bromo-N-[4-(bromomethyl)phenyl]pyridine-3-carboxamide
CID 113274680
N-[4-(2-aminoethyl)phenyl]-5-fluoropyridine-3-carboxamide
CID 104785334
5-hydroxy-N-[4-(sulfamoylmethyl)phenyl]pyridine-3-carboxamide
CID 63851733
2-[(5-aminopyridine-3-carbonyl)amino]-5-methylbenzoic acid
CID 110488447
N-(4-aminophenyl)pyrimidine-5-carboxamide
CID 102921228
2-[4-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]phenyl]acetic acid
CID 24696781
2-[4-[(2-amino-1,3-thiazole-4-carbonyl)amino]phenyl]acetic acid
CID 62786875

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-aminopyridine-3-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(5-aminopyridine-3-carbonyl)amino]phenyl]acetic acid (CID 110488449) is 2-[4-[(5-aminopyridine-3-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(5-aminopyridine-3-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(5-aminopyridine-3-carbonyl)amino]phenyl]acetic acid is Nc1cncc(C(=O)Nc2ccc(CC(=O)O)cc2)c1.
What is the InChIKey of 2-[4-[(5-aminopyridine-3-carbonyl)amino]phenyl]acetic acid?
The InChIKey is MSXOODREIUHPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c15-11-6-10(7-16-8-11)14(20)17-12-3-1-9(2-4-12)5-13(18)19/h1-4,6-8H,5,15H2,(H,17,20)(H,18,19).
What are the key properties of 2-[4-[(5-aminopyridine-3-carbonyl)amino]phenyl]acetic acid?
2-[4-[(5-aminopyridine-3-carbonyl)amino]phenyl]acetic 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 2-[4-[(5-aminopyridine-3-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 110488449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).