2-[[(1R)-1-phenylethyl]carbamoyl]pyridine-3-carboxylic acid

C15H14N2O3 — CID 63866897

IUPAC2-[[(1R)-1-phenylethyl]carbamoyl]pyridine-3-carboxylic acid
SMILESC[C@@H](NC(=O)c1ncccc1C(=O)O)c1ccccc1
InChIInChI=1S/C15H14N2O3/c1-10(11-6-3-2-4-7-11)17-14(18)13-12(15(19)20)8-5-9-16-13/h2-10H,1H3,(H,17,18)(H,19,20)/t10-/m1/s1
InChIKeyWOEMERKEWBHJPS-SNVBAGLBSA-N
MW270.29 g/mol
LogP2.27
Rot. Bonds4

About 2-[[(1R)-1-phenylethyl]carbamoyl]pyridine-3-carboxylic acid

2-[[(1R)-1-phenylethyl]carbamoyl]pyridine-3-carboxylic acid (PubChem CID 63866897) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[[(1R)-1-phenylethyl]carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[[(1R)-1-phenylethyl]carbamoyl]pyridine-3-carboxylic acid
PubChem CID63866897
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name2-[[(1R)-1-phenylethyl]carbamoyl]pyridine-3-carboxylic acid
SMILESC[C@@H](NC(=O)c1ncccc1C(=O)O)c1ccccc1
InChIInChI=1S/C15H14N2O3/c1-10(11-6-3-2-4-7-11)17-14(18)13-12(15(19)20)8-5-9-16-13/h2-10H,1H3,(H,17,18)(H,19,20)/t10-/m1/s1
InChIKeyWOEMERKEWBHJPS-SNVBAGLBSA-N
XLogP2.27
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]pyridine-3-carboxylic acid
CID 81357236
2-(1-hydroxypropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63614422
2-[(1-amino-1-oxopropan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63615241
2-chloro-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide
CID 7657098
2-[[(2S)-1-methoxy-1-oxopropan-2-yl]carbamoyl]pyridine-3-carboxylic acid
CID 55249525
2-(5-methylhexan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 63614412
2-(but-3-yn-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 114414791
N-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide
CID 91294472
N-(1-phenylethyl)quinoline-8-carboxamide
CID 51180563
2-(dimethylamino)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide
CID 38885280
2-(2-methylpentan-3-ylcarbamoyl)pyridine-3-carboxylic acid
CID 55247596
2-[4-(dimethylamino)butan-2-ylcarbamoyl]pyridine-3-carboxylic acid
CID 63615434

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-phenylethyl]carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[[(1R)-1-phenylethyl]carbamoyl]pyridine-3-carboxylic acid (CID 63866897) is 2-[[(1R)-1-phenylethyl]carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[[(1R)-1-phenylethyl]carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[[(1R)-1-phenylethyl]carbamoyl]pyridine-3-carboxylic acid is C[C@@H](NC(=O)c1ncccc1C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[(1R)-1-phenylethyl]carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is WOEMERKEWBHJPS-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10(11-6-3-2-4-7-11)17-14(18)13-12(15(19)20)8-5-9-16-13/h2-10H,1H3,(H,17,18)(H,19,20)/t10-/m1/s1.
What are the key properties of 2-[[(1R)-1-phenylethyl]carbamoyl]pyridine-3-carboxylic acid?
2-[[(1R)-1-phenylethyl]carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-phenylethyl]carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63866897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).