N,6-dimethyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide

C17H20N2O — CID 134054395

IUPACN,6-dimethyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
SMILESCc1ccc(C(C)N(C)C(=O)c2ccc(C)nc2)cc1
InChIInChI=1S/C17H20N2O/c1-12-5-8-15(9-6-12)14(3)19(4)17(20)16-10-7-13(2)18-11-16/h5-11,14H,1-4H3
InChIKeyVSSAFDKTOLDZIA-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.53
Rot. Bonds3

About N,6-dimethyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide

N,6-dimethyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 134054395) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N,6-dimethyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
PubChem CID134054395
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN,6-dimethyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
SMILESCc1ccc(C(C)N(C)C(=O)c2ccc(C)nc2)cc1
InChIInChI=1S/C17H20N2O/c1-12-5-8-15(9-6-12)14(3)19(4)17(20)16-10-7-13(2)18-11-16/h5-11,14H,1-4H3
InChIKeyVSSAFDKTOLDZIA-UHFFFAOYSA-N
XLogP3.53
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-hydroxyphenyl)ethyl]-N,6-dimethylpyridine-3-carboxamide
CID 61044427
N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60737715
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-N,6-dimethylpyridine-3-carboxamide
CID 38551924
6-bromo-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 66462106
N-[1-(4-chlorophenyl)ethyl]-6-methoxy-N-methylpyridine-3-carboxamide
CID 134003966
6-methoxy-N-methyl-N-(1-phenylethyl)pyridine-3-carboxamide
CID 134031462
N-ethyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 111758403
toluene;N,N,6-trimethylpyridine-3-carboxamide;hydrate
CID 159310249
3-bromo-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 107518504
3-fluoro-N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 134054213
N,5-dimethyl-N-[1-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 63997006
N,4-dimethyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 9470834

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of N,6-dimethyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide (CID 134054395) is N,6-dimethyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N,6-dimethyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N,6-dimethyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide is Cc1ccc(C(C)N(C)C(=O)c2ccc(C)nc2)cc1.
What is the InChIKey of N,6-dimethyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is VSSAFDKTOLDZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-5-8-15(9-6-12)14(3)19(4)17(20)16-10-7-13(2)18-11-16/h5-11,14H,1-4H3.
What are the key properties of N,6-dimethyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide?
N,6-dimethyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 134054395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).