2-[[2-(1-hydroxyethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid

C15H14N2O4 — CID 63615274

IUPAC2-[[2-(1-hydroxyethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid
SMILESCC(O)c1ccccc1NC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C15H14N2O4/c1-9(18)10-5-2-3-7-12(10)17-14(19)13-11(15(20)21)6-4-8-16-13/h2-9,18H,1H3,(H,17,19)(H,20,21)
InChIKeyHWAUBDRPSVPLQO-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.09
Rot. Bonds4

About 2-[[2-(1-hydroxyethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid

2-[[2-(1-hydroxyethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid (PubChem CID 63615274) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-[[2-(1-hydroxyethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(1-hydroxyethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid
PubChem CID63615274
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-[[2-(1-hydroxyethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid
SMILESCC(O)c1ccccc1NC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C15H14N2O4/c1-9(18)10-5-2-3-7-12(10)17-14(19)13-11(15(20)21)6-4-8-16-13/h2-9,18H,1H3,(H,17,19)(H,20,21)
InChIKeyHWAUBDRPSVPLQO-UHFFFAOYSA-N
XLogP2.09
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270686
2-[[2-(methylaminomethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid
CID 63615270
2-hydroxy-N-[2-(1-hydroxyethyl)phenyl]benzamide
CID 43508470
2-[(2,3-difluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 63615588
2-[(3-aminopyridine-2-carbonyl)amino]benzoic acid
CID 104741859
2-[[(1R)-1-phenylethyl]carbamoyl]pyridine-3-carboxylic acid
CID 63866897
2-(but-3-yn-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 114414791
2-[(2-hexadecoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 51001704
2-[(2-docosoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 51001703
2-[(2-octadecoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 51001702
2-(1-hydroxypropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63614422
2-(2,1,3-benzoselenadiazol-4-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63615900

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-hydroxyethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[2-(1-hydroxyethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid (CID 63615274) is 2-[[2-(1-hydroxyethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[2-(1-hydroxyethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[2-(1-hydroxyethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid is CC(O)c1ccccc1NC(=O)c1ncccc1C(=O)O.
What is the InChIKey of 2-[[2-(1-hydroxyethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is HWAUBDRPSVPLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-9(18)10-5-2-3-7-12(10)17-14(19)13-11(15(20)21)6-4-8-16-13/h2-9,18H,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-[[2-(1-hydroxyethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid?
2-[[2-(1-hydroxyethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-hydroxyethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63615274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).