6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide

C14H12Cl2N2O — CID 9218589

IUPAC6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(Cl)nc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H12Cl2N2O/c1-9(10-2-5-12(15)6-3-10)18-14(19)11-4-7-13(16)17-8-11/h2-9H,1H3,(H,18,19)/t9-/m1/s1
InChIKeyDFEKINOHWMMKDQ-SECBINFHSA-N
MW295.17 g/mol
LogP3.88
Rot. Bonds3

About 6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide

6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide (PubChem CID 9218589) has the molecular formula C14H12Cl2N2O and a molecular weight of 295.17 g/mol. Its IUPAC name is 6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
PubChem CID9218589
Molecular FormulaC14H12Cl2N2O
Molecular Weight295.17 g/mol
Exact Mass294.03
IUPAC Name6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(Cl)nc1)c1ccc(Cl)cc1
InChIInChI=1S/C14H12Cl2N2O/c1-9(10-2-5-12(15)6-3-10)18-14(19)11-4-7-13(16)17-8-11/h2-9H,1H3,(H,18,19)/t9-/m1/s1
InChIKeyDFEKINOHWMMKDQ-SECBINFHSA-N
XLogP3.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 53.88
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

6-bromo-N-[1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 66463293
6-chloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyridine-3-carboxamide
CID 51197578
6-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide
CID 61040520
6-chloro-N-[(2S)-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 28880213
6-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 63612917
4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585280
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
N-[(1S)-1-(4-bromophenyl)ethyl]-4-chlorobenzamide
CID 7733481
6-chloro-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 42907558
2-[(6-chloropyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 43091866
4-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 43874065
N-[4-(1-aminoethyl)phenyl]-6-chloropyridine-3-carboxamide
CID 87629972

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide (CID 9218589) is 6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide is C[C@@H](NC(=O)c1ccc(Cl)nc1)c1ccc(Cl)cc1.
What is the InChIKey of 6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is DFEKINOHWMMKDQ-SECBINFHSA-N. The full InChI is InChI=1S/C14H12Cl2N2O/c1-9(10-2-5-12(15)6-3-10)18-14(19)11-4-7-13(16)17-8-11/h2-9H,1H3,(H,18,19)/t9-/m1/s1.
What are the key properties of 6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide?
6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 295.17 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 9218589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).