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

C16H17ClN2O — CID 81225270

IUPAC4-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCCc1ccc(CN(C)C(=O)c2cnccc2Cl)cc1
InChIInChI=1S/C16H17ClN2O/c1-3-12-4-6-13(7-5-12)11-19(2)16(20)14-10-18-9-8-15(14)17/h4-10H,3,11H2,1-2H3
InChIKeyNYGXQAVGDCRHNB-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.57
Rot. Bonds4

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

4-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-3-carboxamide (PubChem CID 81225270) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-3-carboxamide
PubChem CID81225270
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name4-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCCc1ccc(CN(C)C(=O)c2cnccc2Cl)cc1
InChIInChI=1S/C16H17ClN2O/c1-3-12-4-6-13(7-5-12)11-19(2)16(20)14-10-18-9-8-15(14)17/h4-10H,3,11H2,1-2H3
InChIKeyNYGXQAVGDCRHNB-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

3-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 66482539
N-[(4-chloro-3-fluorophenyl)methyl]-3-fluoro-N-methylpyridine-4-carboxamide
CID 118740695
N-[(5-bromothiophen-3-yl)methyl]-4-chloro-N-methylpyridine-3-carboxamide
CID 81226605
3-chloro-N-(4-ethylphenyl)-N-methylpyridine-4-carboxamide
CID 66484340
N-[(4-chlorophenyl)methyl]-3-(ethylamino)-N-methylpyridine-4-carboxamide
CID 105069615
4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 81226415
5-bromo-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630930
4-chloro-N-[(2-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 81226236
4-(ethylamino)-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 81242281
4-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 81230248
N-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methylpyridine-3-carboxamide
CID 81238819
3-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpyridine-4-carboxamide
CID 66464622

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-3-carboxamide (CID 81225270) is 4-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-3-carboxamide is CCc1ccc(CN(C)C(=O)c2cnccc2Cl)cc1.
What is the InChIKey of 4-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is NYGXQAVGDCRHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-3-12-4-6-13(7-5-12)11-19(2)16(20)14-10-18-9-8-15(14)17/h4-10H,3,11H2,1-2H3.
What are the key properties of 4-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-3-carboxamide?
4-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-3-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 4-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 81225270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).