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

C15H15ClN2O — CID 60737127

IUPAC2-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cccnc2Cl)cc1
InChIInChI=1S/C15H15ClN2O/c1-10-5-7-12(8-6-10)11(2)18-15(19)13-4-3-9-17-14(13)16/h3-9,11H,1-2H3,(H,18,19)
InChIKeyAYSOBNQEXHMEGX-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.53
Rot. Bonds3

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

2-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 60737127) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
PubChem CID60737127
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name2-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cccnc2Cl)cc1
InChIInChI=1S/C15H15ClN2O/c1-10-5-7-12(8-6-10)11(2)18-15(19)13-4-3-9-17-14(13)16/h3-9,11H,1-2H3,(H,18,19)
InChIKeyAYSOBNQEXHMEGX-UHFFFAOYSA-N
XLogP3.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.53
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-[(1R)-1-phenylethyl]pyridine-3-carboxamide
CID 7657098
2-chloro-N-[1-(4-ethylphenyl)ethyl]pyridine-3-carboxamide
CID 17326874
2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 26908020
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-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 30386627
2-chloro-N-(3-ethylpentan-2-yl)pyridine-3-carboxamide
CID 63836533
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 38920019
2-amino-3-chloro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 115540155
2-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 61073257
2-iodo-N-[1-(4-methylphenyl)ethyl]benzamide
CID 2981930

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide (CID 60737127) is 2-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide is Cc1ccc(C(C)NC(=O)c2cccnc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is AYSOBNQEXHMEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-10-5-7-12(8-6-10)11(2)18-15(19)13-4-3-9-17-14(13)16/h3-9,11H,1-2H3,(H,18,19).
What are the key properties of 2-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide?
2-chloro-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 274.75 g/mol, XLogP of 3.53, 3 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-methylphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 60737127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).