3-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide

C15H15ClN2O — CID 66484340

IUPAC3-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide
SMILESCCc1ccc(N(C)C(=O)c2ccncc2Cl)cc1
InChIInChI=1S/C15H15ClN2O/c1-3-11-4-6-12(7-5-11)18(2)15(19)13-8-9-17-10-14(13)16/h4-10H,3H2,1-2H3
InChIKeyDVRSWPFRKDHRIW-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.57
Rot. Bonds3

About 3-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide

3-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide (PubChem CID 66484340) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 3-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide
PubChem CID66484340
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name3-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide
SMILESCCc1ccc(N(C)C(=O)c2ccncc2Cl)cc1
InChIInChI=1S/C15H15ClN2O/c1-3-11-4-6-12(7-5-11)18(2)15(19)13-8-9-17-10-14(13)16/h4-10H,3H2,1-2H3
InChIKeyDVRSWPFRKDHRIW-UHFFFAOYSA-N
XLogP3.57
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 66482539
N-(4-ethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide
CID 105066566
3-chloro-N-methyl-N-phenylpyridine-4-carboxamide
CID 66463019
4-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 81225270
5-chloro-N-(4-ethylphenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 114922855
6-chloro-N-(4-ethylphenyl)-N-methylpyrazine-2-carboxamide
CID 114035324
5-amino-2-chloro-N-(4-ethylphenyl)-N-methylbenzamide
CID 62001590
3-chloro-N,N-dipropylpyridine-4-carboxamide
CID 66463803
3-chloro-N-(1-chloropropan-2-yl)-N-methylpyridine-4-carboxamide
CID 104555833
N-(3-amino-4-pyridinyl)-3-chloro-N-methylpyridine-4-carboxamide
CID 66462789
N-[4-(aminomethyl)phenyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 64949854
4-chloro-N-(4-methoxyphenyl)-N-methylpyridine-3-carboxamide
CID 81226687

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide (CID 66484340) is 3-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide is CCc1ccc(N(C)C(=O)c2ccncc2Cl)cc1.
What is the InChIKey of 3-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide?
The InChIKey is DVRSWPFRKDHRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-3-11-4-6-12(7-5-11)18(2)15(19)13-8-9-17-10-14(13)16/h4-10H,3H2,1-2H3.
What are the key properties of 3-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide?
3-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide has a molecular weight of 274.75 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 66484340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).