2-chloro-N-[1-(4-ethylphenyl)ethyl]pyridine-3-carboxamide

C16H17ClN2O — CID 17326874

IUPAC2-chloro-N-[1-(4-ethylphenyl)ethyl]pyridine-3-carboxamide
SMILESCCc1ccc(C(C)NC(=O)c2cccnc2Cl)cc1
InChIInChI=1S/C16H17ClN2O/c1-3-12-6-8-13(9-7-12)11(2)19-16(20)14-5-4-10-18-15(14)17/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeyBREHGDAYMLXMDZ-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.79
Rot. Bonds4

About 2-chloro-N-[1-(4-ethylphenyl)ethyl]pyridine-3-carboxamide

2-chloro-N-[1-(4-ethylphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 17326874) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-ethylphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[1-(4-ethylphenyl)ethyl]pyridine-3-carboxamide
PubChem CID17326874
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name2-chloro-N-[1-(4-ethylphenyl)ethyl]pyridine-3-carboxamide
SMILESCCc1ccc(C(C)NC(=O)c2cccnc2Cl)cc1
InChIInChI=1S/C16H17ClN2O/c1-3-12-6-8-13(9-7-12)11(2)19-16(20)14-5-4-10-18-15(14)17/h4-11H,3H2,1-2H3,(H,19,20)
InChIKeyBREHGDAYMLXMDZ-UHFFFAOYSA-N
XLogP3.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.79
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-phenylethyl]pyridine-3-carboxamide
CID 7657098
2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 26908020
N-[1-(4-ethylphenyl)ethyl]-2-methylbenzamide
CID 17326783
3-amino-N-[1-(4-ethylphenyl)ethyl]pyridine-2-carboxamide
CID 104741215
2-chloro-N-(3-ethylpentan-2-yl)pyridine-3-carboxamide
CID 63836533
2-chloro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]pyridine-3-carboxamide
CID 60600746
2-chloro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 78778446
2-chloro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide
CID 62722481
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 38920019
5-bromo-2-chloro-N-[1-(4-ethylphenyl)ethyl]benzamide
CID 17327083

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-ethylphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[1-(4-ethylphenyl)ethyl]pyridine-3-carboxamide (CID 17326874) is 2-chloro-N-[1-(4-ethylphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[1-(4-ethylphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[1-(4-ethylphenyl)ethyl]pyridine-3-carboxamide is CCc1ccc(C(C)NC(=O)c2cccnc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[1-(4-ethylphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is BREHGDAYMLXMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-3-12-6-8-13(9-7-12)11(2)19-16(20)14-5-4-10-18-15(14)17/h4-11H,3H2,1-2H3,(H,19,20).
What are the key properties of 2-chloro-N-[1-(4-ethylphenyl)ethyl]pyridine-3-carboxamide?
2-chloro-N-[1-(4-ethylphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 288.78 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-ethylphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 17326874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).