N-[(1S)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide

C14H13ClN2O — CID 26907997

IUPACN-[(1S)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide
SMILESC[C@H](NC(=O)c1ccccn1)c1cccc(Cl)c1
InChIInChI=1S/C14H13ClN2O/c1-10(11-5-4-6-12(15)9-11)17-14(18)13-7-2-3-8-16-13/h2-10H,1H3,(H,17,18)/t10-/m0/s1
InChIKeyUBZDXJWRTLZXSZ-JTQLQIEISA-N
MW260.72 g/mol
LogP3.23
Rot. Bonds3

About N-[(1S)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide

N-[(1S)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide (PubChem CID 26907997) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is N-[(1S)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide
PubChem CID26907997
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC NameN-[(1S)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide
SMILESC[C@H](NC(=O)c1ccccn1)c1cccc(Cl)c1
InChIInChI=1S/C14H13ClN2O/c1-10(11-5-4-6-12(15)9-11)17-14(18)13-7-2-3-8-16-13/h2-10H,1H3,(H,17,18)/t10-/m0/s1
InChIKeyUBZDXJWRTLZXSZ-JTQLQIEISA-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

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Related Compounds

N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 26907996
2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 26908020
N-[(1R)-1-naphthalen-2-ylethyl]pyridine-2-carboxamide
CID 26084577
N-[1-(3-chlorophenyl)ethyl]quinoline-5-carboxamide
CID 24605147
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 38919428
N-[1-(3-chlorophenyl)ethyl]-2-ethynyl-1,3-thiazole-4-carboxamide
CID 171401030
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyridine-2-carboxamide
CID 18158025
2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372365
N-[(1S)-1-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 39853258
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710
1-[1-(3-chlorophenyl)ethyl]-3-methylurea
CID 47127326
5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 60674500

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide (CID 26907997) is N-[(1S)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide is C[C@H](NC(=O)c1ccccn1)c1cccc(Cl)c1.
What is the InChIKey of N-[(1S)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is UBZDXJWRTLZXSZ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H13ClN2O/c1-10(11-5-4-6-12(15)9-11)17-14(18)13-7-2-3-8-16-13/h2-10H,1H3,(H,17,18)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide?
N-[(1S)-1-(3-chlorophenyl)ethyl]pyridine-2-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 N-[(1S)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 26907997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).