2-chloro-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide

C14H13ClN2O — CID 7657098

IUPAC2-chloro-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cccnc1Cl)c1ccccc1
InChIInChI=1S/C14H13ClN2O/c1-10(11-6-3-2-4-7-11)17-14(18)12-8-5-9-16-13(12)15/h2-10H,1H3,(H,17,18)/t10-/m1/s1
InChIKeyGLSAUPABLHMGAO-SNVBAGLBSA-N
MW260.72 g/mol
LogP3.23
Rot. Bonds3

About 2-chloro-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide

2-chloro-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide (PubChem CID 7657098) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide
PubChem CID7657098
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name2-chloro-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cccnc1Cl)c1ccccc1
InChIInChI=1S/C14H13ClN2O/c1-10(11-6-3-2-4-7-11)17-14(18)12-8-5-9-16-13(12)15/h2-10H,1H3,(H,17,18)/t10-/m1/s1
InChIKeyGLSAUPABLHMGAO-SNVBAGLBSA-N
XLogP3.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[1-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide
CID 17328691
2-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 60737127
2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 26908020
2-chloro-N-[1-(4-ethylphenyl)ethyl]pyridine-3-carboxamide
CID 17326874
2-chloro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 78778446
N-(1-phenylethyl)quinoline-8-carboxamide
CID 51180563
2-(dimethylamino)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide
CID 38885280
2-[[(1R)-1-phenylethyl]carbamoyl]pyridine-3-carboxylic acid
CID 63866897
N-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide
CID 91294472
2-chloro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyridine-3-carboxamide
CID 60600746
2-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 61073257
2-[2,6-bis(1-phenylethylcarbamoyl)phenyl]-1-N,3-N-bis(1-phenylethyl)benzene-1,3-dicarboxamide
CID 570721

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide (CID 7657098) is 2-chloro-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide is C[C@@H](NC(=O)c1cccnc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide?
The InChIKey is GLSAUPABLHMGAO-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-10(11-6-3-2-4-7-11)17-14(18)12-8-5-9-16-13(12)15/h2-10H,1H3,(H,17,18)/t10-/m1/s1.
What are the key properties of 2-chloro-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide?
2-chloro-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide has a molecular weight of 260.72 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide is sourced from PubChem (CID 7657098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).