2-[2-[[(3-hydroxypyridine-4-carbonyl)amino]methyl]phenyl]acetic acid

C15H14N2O4 — CID 81439005

IUPAC2-[2-[[(3-hydroxypyridine-4-carbonyl)amino]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CNC(=O)c1ccncc1O
InChIInChI=1S/C15H14N2O4/c18-13-9-16-6-5-12(13)15(21)17-8-11-4-2-1-3-10(11)7-14(19)20/h1-6,9,18H,7-8H2,(H,17,21)(H,19,20)
InChIKeyGEMAZFMADQBJJH-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.34
Rot. Bonds5

About 2-[2-[[(3-hydroxypyridine-4-carbonyl)amino]methyl]phenyl]acetic acid

2-[2-[[(3-hydroxypyridine-4-carbonyl)amino]methyl]phenyl]acetic acid (PubChem CID 81439005) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-[2-[[(3-hydroxypyridine-4-carbonyl)amino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[(3-hydroxypyridine-4-carbonyl)amino]methyl]phenyl]acetic acid
PubChem CID81439005
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-[2-[[(3-hydroxypyridine-4-carbonyl)amino]methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CNC(=O)c1ccncc1O
InChIInChI=1S/C15H14N2O4/c18-13-9-16-6-5-12(13)15(21)17-8-11-4-2-1-3-10(11)7-14(19)20/h1-6,9,18H,7-8H2,(H,17,21)(H,19,20)
InChIKeyGEMAZFMADQBJJH-UHFFFAOYSA-N
XLogP1.34
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 115667770
2-[2-[(pyridine-4-carbonylamino)methyl]phenyl]acetic acid
CID 81317965
N-[(2-hydroxyphenyl)methyl]-3-methoxypyridine-4-carboxamide
CID 105063699
3-hydroxy-N-[(4-methylthiophen-3-yl)methyl]pyridine-4-carboxamide
CID 81443108
3-[2-[(3-hydroxypyridine-4-carbonyl)amino]phenyl]propanoic acid
CID 107272392
N-(2-bromoethyl)-3-hydroxypyridine-4-carboxamide
CID 114307487
N-[(2-ethylphenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81245012
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-hydroxypyridine-4-carboxamide
CID 112550399
tris(3-hydroxy-N-methylpyridine-4-carboxamide);iron
CID 163419095
N-[(5-ethylthiophen-2-yl)methyl]-3-hydroxypyridine-4-carboxamide
CID 113252821
N-[(2-bromophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 64949510
N-(3-chloropropyl)-3-hydroxypyridine-4-carboxamide
CID 114293613

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(3-hydroxypyridine-4-carbonyl)amino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[[(3-hydroxypyridine-4-carbonyl)amino]methyl]phenyl]acetic acid (CID 81439005) is 2-[2-[[(3-hydroxypyridine-4-carbonyl)amino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[(3-hydroxypyridine-4-carbonyl)amino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[(3-hydroxypyridine-4-carbonyl)amino]methyl]phenyl]acetic acid is O=C(O)Cc1ccccc1CNC(=O)c1ccncc1O.
What is the InChIKey of 2-[2-[[(3-hydroxypyridine-4-carbonyl)amino]methyl]phenyl]acetic acid?
The InChIKey is GEMAZFMADQBJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-13-9-16-6-5-12(13)15(21)17-8-11-4-2-1-3-10(11)7-14(19)20/h1-6,9,18H,7-8H2,(H,17,21)(H,19,20).
What are the key properties of 2-[2-[[(3-hydroxypyridine-4-carbonyl)amino]methyl]phenyl]acetic acid?
2-[2-[[(3-hydroxypyridine-4-carbonyl)amino]methyl]phenyl]acetic acid has a molecular weight of 286.29 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(3-hydroxypyridine-4-carbonyl)amino]methyl]phenyl]acetic acid is sourced from PubChem (CID 81439005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).