2-[(3-carbamoyl-2-pyridinyl)amino]-2-phenylacetic acid

C14H13N3O3 — CID 62109131

IUPAC2-[(3-carbamoyl-2-pyridinyl)amino]-2-phenylacetic acid
SMILESNC(=O)c1cccnc1NC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H13N3O3/c15-12(18)10-7-4-8-16-13(10)17-11(14(19)20)9-5-2-1-3-6-9/h1-8,11H,(H2,15,18)(H,16,17)(H,19,20)
InChIKeyGMSJZOLKEFRGQE-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.42
Rot. Bonds5

About 2-[(3-carbamoyl-2-pyridinyl)amino]-2-phenylacetic acid

2-[(3-carbamoyl-2-pyridinyl)amino]-2-phenylacetic acid (PubChem CID 62109131) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-[(3-carbamoyl-2-pyridinyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(3-carbamoyl-2-pyridinyl)amino]-2-phenylacetic acid
PubChem CID62109131
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name2-[(3-carbamoyl-2-pyridinyl)amino]-2-phenylacetic acid
SMILESNC(=O)c1cccnc1NC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H13N3O3/c15-12(18)10-7-4-8-16-13(10)17-11(14(19)20)9-5-2-1-3-6-9/h1-8,11H,(H2,15,18)(H,16,17)(H,19,20)
InChIKeyGMSJZOLKEFRGQE-UHFFFAOYSA-N
XLogP1.42
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzhydrylamino)pyridine-3-carboxylic acid
CID 82341815
2-[(3-nitro-2-pyridinyl)amino]-2-phenylacetic acid
CID 62110473
2-[(5-carbamoyl-2-pyridinyl)amino]-2-phenylacetic acid
CID 62110982
2-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carboxamide
CID 115643931
2-(2-phenoxyethylamino)pyridine-3-carboxamide
CID 34013927
2-(pyridin-2-ylamino)pyridine-3-carboxamide
CID 172773445
2-(3-aminobutylamino)pyridine-3-carboxamide
CID 63251486
2-[2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]phenyl]acetic acid
CID 81313236
2-[(1-amino-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxamide
CID 106357820
2-(methylcarbamoylamino)pyridine-3-carboxamide
CID 88995807
2-(octan-4-ylamino)pyridine-3-carboxamide
CID 113249998
(2R)-2-anilino-2-phenylacetic acid
CID 6999890

Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamoyl-2-pyridinyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(3-carbamoyl-2-pyridinyl)amino]-2-phenylacetic acid (CID 62109131) is 2-[(3-carbamoyl-2-pyridinyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(3-carbamoyl-2-pyridinyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(3-carbamoyl-2-pyridinyl)amino]-2-phenylacetic acid is NC(=O)c1cccnc1NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[(3-carbamoyl-2-pyridinyl)amino]-2-phenylacetic acid?
The InChIKey is GMSJZOLKEFRGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c15-12(18)10-7-4-8-16-13(10)17-11(14(19)20)9-5-2-1-3-6-9/h1-8,11H,(H2,15,18)(H,16,17)(H,19,20).
What are the key properties of 2-[(3-carbamoyl-2-pyridinyl)amino]-2-phenylacetic acid?
2-[(3-carbamoyl-2-pyridinyl)amino]-2-phenylacetic acid has a molecular weight of 271.28 g/mol, XLogP of 1.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbamoyl-2-pyridinyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 62109131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).