N-methyl-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide

C16H18N2O — CID 176647563

IUPACN-methyl-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide
SMILESCC(C)c1ccc(N(C)C(=O)c2ccncc2)cc1
InChIInChI=1S/C16H18N2O/c1-12(2)13-4-6-15(7-5-13)18(3)16(19)14-8-10-17-11-9-14/h4-12H,1-3H3
InChIKeyIMFNXPIWXNJTRA-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.48
Rot. Bonds3

About N-methyl-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide

N-methyl-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide (PubChem CID 176647563) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-methyl-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide
PubChem CID176647563
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-methyl-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide
SMILESCC(C)c1ccc(N(C)C(=O)c2ccncc2)cc1
InChIInChI=1S/C16H18N2O/c1-12(2)13-4-6-15(7-5-13)18(3)16(19)14-8-10-17-11-9-14/h4-12H,1-3H3
InChIKeyIMFNXPIWXNJTRA-UHFFFAOYSA-N
XLogP3.48
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 82092609
N-methyl-N-(4-propan-2-ylphenyl)carbamoyl chloride
CID 115194451
N-methyl-N-[4-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
CID 119887019
3-chloro-4-hydroxy-N-methyl-N-pyridin-4-ylbenzamide
CID 106936060
N-methyl-2-oxo-N-(4-propan-2-ylphenyl)propanamide
CID 115175423
[4-[methyl-(4-methylbenzoyl)amino]phenyl] pyridine-4-carboxylate
CID 60594547
2-amino-N-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 82092607
N-(3-hydroxyphenyl)-N-methylpyridine-4-carboxamide
CID 107735844
4-propan-2-yl-N-(pyridin-4-ylmethyl)benzohydrazide
CID 59611643
N-[4-[methyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 17230224
N-methyl-N-(4-propan-2-ylphenyl)-2-sulfanylacetamide
CID 115166992
N-[4-[[(6-chloropyrazin-2-yl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide
CID 133305379

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide?
The IUPAC name of N-methyl-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide (CID 176647563) is N-methyl-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-methyl-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide?
The canonical SMILES for N-methyl-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide is CC(C)c1ccc(N(C)C(=O)c2ccncc2)cc1.
What is the InChIKey of N-methyl-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide?
The InChIKey is IMFNXPIWXNJTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12(2)13-4-6-15(7-5-13)18(3)16(19)14-8-10-17-11-9-14/h4-12H,1-3H3.
What are the key properties of N-methyl-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide?
N-methyl-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 176647563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).