N-[1-(4-chlorophenyl)propyl]-2,6-dimethylpyridine-3-carboxamide

C17H19ClN2O — CID 55871607

IUPACN-[1-(4-chlorophenyl)propyl]-2,6-dimethylpyridine-3-carboxamide
SMILESCCC(NC(=O)c1ccc(C)nc1C)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-4-16(13-6-8-14(18)9-7-13)20-17(21)15-10-5-11(2)19-12(15)3/h5-10,16H,4H2,1-3H3,(H,20,21)
InChIKeyZXKLMBVCKGYVAR-UHFFFAOYSA-N
MW302.81 g/mol
LogP4.23
Rot. Bonds4

About N-[1-(4-chlorophenyl)propyl]-2,6-dimethylpyridine-3-carboxamide

N-[1-(4-chlorophenyl)propyl]-2,6-dimethylpyridine-3-carboxamide (PubChem CID 55871607) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propyl]-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propyl]-2,6-dimethylpyridine-3-carboxamide
PubChem CID55871607
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-[1-(4-chlorophenyl)propyl]-2,6-dimethylpyridine-3-carboxamide
SMILESCCC(NC(=O)c1ccc(C)nc1C)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O/c1-4-16(13-6-8-14(18)9-7-13)20-17(21)15-10-5-11(2)19-12(15)3/h5-10,16H,4H2,1-3H3,(H,20,21)
InChIKeyZXKLMBVCKGYVAR-UHFFFAOYSA-N
XLogP4.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
2-amino-N-[1-(4-chlorophenyl)propyl]benzamide
CID 61214980
2,5-dichloro-N-[1-(4-chlorophenyl)propyl]pyridine-4-carboxamide
CID 114917750
N-[(1S)-1-(4-chlorophenyl)propyl]furan-3-carboxamide
CID 41490385
4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)propyl]benzamide
CID 99994348
2,4-dichloro-N-[1-(3,4-dimethylphenyl)propyl]benzamide
CID 132651752
4-chloro-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-fluorobenzamide
CID 100565359
N-(2-ethyl-1-thiophen-2-ylbutyl)-2,6-dimethylpyridine-3-carboxamide
CID 55903262
N-[(1R)-1-(4-chlorophenyl)propyl]-4-(1,2,4-triazol-4-yl)benzamide
CID 52522157
2-amino-N-[1-(4-chlorophenyl)propyl]-3-fluorobenzamide
CID 81499811
N-[1-(4-bromophenyl)propyl]-5-chloro-2-fluorobenzamide
CID 60674486
N-[(1S)-1-(4-chlorophenyl)propyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide
CID 25493197

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propyl]-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)propyl]-2,6-dimethylpyridine-3-carboxamide (CID 55871607) is N-[1-(4-chlorophenyl)propyl]-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)propyl]-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)propyl]-2,6-dimethylpyridine-3-carboxamide is CCC(NC(=O)c1ccc(C)nc1C)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propyl]-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is ZXKLMBVCKGYVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-4-16(13-6-8-14(18)9-7-13)20-17(21)15-10-5-11(2)19-12(15)3/h5-10,16H,4H2,1-3H3,(H,20,21).
What are the key properties of N-[1-(4-chlorophenyl)propyl]-2,6-dimethylpyridine-3-carboxamide?
N-[1-(4-chlorophenyl)propyl]-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 302.81 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propyl]-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 55871607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).