3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-4-carboxamide

C16H17ClN2O — CID 66482539

IUPAC3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-4-carboxamide
SMILESCCc1ccc(CN(C)C(=O)c2ccncc2Cl)cc1
InChIInChI=1S/C16H17ClN2O/c1-3-12-4-6-13(7-5-12)11-19(2)16(20)14-8-9-18-10-15(14)17/h4-10H,3,11H2,1-2H3
InChIKeyZRAJPRNXLHFFTR-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.57
Rot. Bonds4

About 3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-4-carboxamide

3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-4-carboxamide (PubChem CID 66482539) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-4-carboxamide
PubChem CID66482539
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-4-carboxamide
SMILESCCc1ccc(CN(C)C(=O)c2ccncc2Cl)cc1
InChIInChI=1S/C16H17ClN2O/c1-3-12-4-6-13(7-5-12)11-19(2)16(20)14-8-9-18-10-15(14)17/h4-10H,3,11H2,1-2H3
InChIKeyZRAJPRNXLHFFTR-UHFFFAOYSA-N
XLogP3.57
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 81225270
3-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide
CID 66484340
3-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 66464622
3-chloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 66484898
N-[(4-chlorophenyl)methyl]-3-(ethylamino)-N-methylpyridine-4-carboxamide
CID 105069615
3-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 66484932
N-[(4-chloro-3-fluorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 118740695
5-bromo-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630930
3-chloro-N-methyl-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 66464024
3-chloro-N,N-dipropylpyridine-4-carboxamide
CID 66463803
3-chloro-N-(1-chloropropan-2-yl)-N-methylpyridine-4-carboxamide
CID 104555833
N-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methylpyridine-3-carboxamide
CID 81238819

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-4-carboxamide (CID 66482539) is 3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-4-carboxamide is CCc1ccc(CN(C)C(=O)c2ccncc2Cl)cc1.
What is the InChIKey of 3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-4-carboxamide?
The InChIKey is ZRAJPRNXLHFFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-3-12-4-6-13(7-5-12)11-19(2)16(20)14-8-9-18-10-15(14)17/h4-10H,3,11H2,1-2H3.
What are the key properties of 3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-4-carboxamide?
3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-4-carboxamide has a molecular weight of 288.78 g/mol, XLogP of 3.57, 4 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)methyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 66482539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).