6-chloro-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide

C15H15ClN2O2 — CID 26618870

IUPAC6-chloro-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C15H15ClN2O2/c1-10(12-5-3-4-6-13(12)20-2)18-15(19)11-7-8-14(16)17-9-11/h3-10H,1-2H3,(H,18,19)/t10-/m1/s1
InChIKeyFSOOKOGPCGJRCO-SNVBAGLBSA-N
MW290.75 g/mol
LogP3.23
Rot. Bonds4

About 6-chloro-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide

6-chloro-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 26618870) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 6-chloro-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
PubChem CID26618870
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name6-chloro-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C15H15ClN2O2/c1-10(12-5-3-4-6-13(12)20-2)18-15(19)11-7-8-14(16)17-9-11/h3-10H,1-2H3,(H,18,19)/t10-/m1/s1
InChIKeyFSOOKOGPCGJRCO-SNVBAGLBSA-N
XLogP3.23
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 42904939
6-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 134053626
5,6-dichloro-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 7936550
N-[(1S)-1-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 51474665
4-(chloromethyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 81389735
3-fluoro-4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787598
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-propan-2-yloxybenzamide
CID 26618887
6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 9218589
4-cyano-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 7719116
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 97313653
6-chloro-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 42907558
N-[1-(2-methoxyphenyl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 75461927

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide (CID 26618870) is 6-chloro-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide is COc1ccccc1[C@@H](C)NC(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is FSOOKOGPCGJRCO-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-10(12-5-3-4-6-13(12)20-2)18-15(19)11-7-8-14(16)17-9-11/h3-10H,1-2H3,(H,18,19)/t10-/m1/s1.
What are the key properties of 6-chloro-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide?
6-chloro-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 290.75 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 26618870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).