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

C14H12Cl2N2O — CID 26908020

IUPAC2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cccnc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C14H12Cl2N2O/c1-9(10-4-2-5-11(15)8-10)18-14(19)12-6-3-7-17-13(12)16/h2-9H,1H3,(H,18,19)/t9-/m1/s1
InChIKeyBOBMHBAFNURWIL-SECBINFHSA-N
MW295.17 g/mol
LogP3.88
Rot. Bonds3

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

2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-3-carboxamide (PubChem CID 26908020) has the molecular formula C14H12Cl2N2O and a molecular weight of 295.17 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
PubChem CID26908020
Molecular FormulaC14H12Cl2N2O
Molecular Weight295.17 g/mol
Exact Mass294.03
IUPAC Name2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cccnc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C14H12Cl2N2O/c1-9(10-4-2-5-11(15)8-10)18-14(19)12-6-3-7-17-13(12)16/h2-9H,1H3,(H,18,19)/t9-/m1/s1
InChIKeyBOBMHBAFNURWIL-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

2-chloro-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide
CID 7657098
N-[1-(3-chlorophenyl)ethyl]quinoline-5-carboxamide
CID 24605147
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 38919428
2-chloro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 78778446
2-chloro-N-[1-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide
CID 17328691
N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 26907996
2-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 60737127
N-[(1S)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 26907997
2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372365
5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 60674500
2-chloro-N-[1-(4-ethylphenyl)ethyl]pyridine-3-carboxamide
CID 17326874
2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid
CID 60655016

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-3-carboxamide (CID 26908020) is 2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-3-carboxamide is C[C@@H](NC(=O)c1cccnc1Cl)c1cccc(Cl)c1.
What is the InChIKey of 2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is BOBMHBAFNURWIL-SECBINFHSA-N. The full InChI is InChI=1S/C14H12Cl2N2O/c1-9(10-4-2-5-11(15)8-10)18-14(19)12-6-3-7-17-13(12)16/h2-9H,1H3,(H,18,19)/t9-/m1/s1.
What are the key properties of 2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-3-carboxamide?
2-chloro-N-[(1R)-1-(3-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 2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 26908020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).