2-[2-[(pyridine-4-carbonylamino)methyl]phenyl]acetic acid

C15H14N2O3 — CID 81317965

IUPAC2-[2-[(pyridine-4-carbonylamino)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CNC(=O)c1ccncc1
InChIInChI=1S/C15H14N2O3/c18-14(19)9-12-3-1-2-4-13(12)10-17-15(20)11-5-7-16-8-6-11/h1-8H,9-10H2,(H,17,20)(H,18,19)
InChIKeyCIWPQDPOPIUNOC-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.64
Rot. Bonds5

About 2-[2-[(pyridine-4-carbonylamino)methyl]phenyl]acetic acid

2-[2-[(pyridine-4-carbonylamino)methyl]phenyl]acetic acid (PubChem CID 81317965) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[2-[(pyridine-4-carbonylamino)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(pyridine-4-carbonylamino)methyl]phenyl]acetic acid
PubChem CID81317965
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-[2-[(pyridine-4-carbonylamino)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CNC(=O)c1ccncc1
InChIInChI=1S/C15H14N2O3/c18-14(19)9-12-3-1-2-4-13(12)10-17-15(20)11-5-7-16-8-6-11/h1-8H,9-10H2,(H,17,20)(H,18,19)
InChIKeyCIWPQDPOPIUNOC-UHFFFAOYSA-N
XLogP1.64
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-phenylphenyl)methyl]pyridine-4-carboxamide
CID 23497805
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
N-[[2-(dimethylamino)phenyl]methyl]pyridine-4-carboxamide
CID 110471313
2-[2-[[(3-hydroxypyridine-4-carbonyl)amino]methyl]phenyl]acetic acid
CID 81439005
N-[[2-(pyridine-4-carbonylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926051
N-[2-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926052
N-[(5-amino-2-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 43548732
N-[(2-chloro-3-pyridinyl)methyl]benzamide
CID 90812537
2-[4-(benzamidomethyl)phenyl]acetic acid
CID 89464611
N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 26117299
N-[(2,3-dihydroxyphenyl)methyl]benzamide
CID 143948328

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(pyridine-4-carbonylamino)methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[(pyridine-4-carbonylamino)methyl]phenyl]acetic acid (CID 81317965) is 2-[2-[(pyridine-4-carbonylamino)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(pyridine-4-carbonylamino)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(pyridine-4-carbonylamino)methyl]phenyl]acetic acid is O=C(O)Cc1ccccc1CNC(=O)c1ccncc1.
What is the InChIKey of 2-[2-[(pyridine-4-carbonylamino)methyl]phenyl]acetic acid?
The InChIKey is CIWPQDPOPIUNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-14(19)9-12-3-1-2-4-13(12)10-17-15(20)11-5-7-16-8-6-11/h1-8H,9-10H2,(H,17,20)(H,18,19).
What are the key properties of 2-[2-[(pyridine-4-carbonylamino)methyl]phenyl]acetic acid?
2-[2-[(pyridine-4-carbonylamino)methyl]phenyl]acetic acid has a molecular weight of 270.29 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(pyridine-4-carbonylamino)methyl]phenyl]acetic acid is sourced from PubChem (CID 81317965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).