N-(4-methylphenyl)pyridine-4-carboxamide;propane

C16H20N2O — CID 142028273

IUPACN-(4-methylphenyl)pyridine-4-carboxamide;propane
SMILESCCC.Cc1ccc(NC(=O)c2ccncc2)cc1
InChIInChI=1S/C13H12N2O.C3H8/c1-10-2-4-12(5-3-10)15-13(16)11-6-8-14-9-7-11;1-3-2/h2-9H,1H3,(H,15,16);3H2,1-2H3
InChIKeyJKPGHHHKCVLIDW-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.06
Rot. Bonds2

About N-(4-methylphenyl)pyridine-4-carboxamide;propane

N-(4-methylphenyl)pyridine-4-carboxamide;propane (PubChem CID 142028273) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(4-methylphenyl)pyridine-4-carboxamide;propane.

Molecular Properties

Compound NameN-(4-methylphenyl)pyridine-4-carboxamide;propane
PubChem CID142028273
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-(4-methylphenyl)pyridine-4-carboxamide;propane
SMILESCCC.Cc1ccc(NC(=O)c2ccncc2)cc1
InChIInChI=1S/C13H12N2O.C3H8/c1-10-2-4-12(5-3-10)15-13(16)11-6-8-14-9-7-11;1-3-2/h2-9H,1H3,(H,15,16);3H2,1-2H3
InChIKeyJKPGHHHKCVLIDW-UHFFFAOYSA-N
XLogP4.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047754
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241
N-[4-(ethylaminomethyl)phenyl]pyridine-4-carboxamide
CID 106910118
1-N,4-N-bis(4-pyridin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 171423296
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide
CID 139337158
N'-(4-methylbenzoyl)pyridine-4-carbohydrazide
CID 788109
4-ethyl-N-pyridin-4-ylbenzamide
CID 2712552
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 2330632
methyl 4-(pyridine-4-carbonylamino)benzoate;hydrochloride
CID 110756565
N-(4-pyrimidin-5-ylphenyl)pyridine-4-carboxamide
CID 110461708

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)pyridine-4-carboxamide;propane?
The IUPAC name of N-(4-methylphenyl)pyridine-4-carboxamide;propane (CID 142028273) is N-(4-methylphenyl)pyridine-4-carboxamide;propane.
What is the SMILES notation for N-(4-methylphenyl)pyridine-4-carboxamide;propane?
The canonical SMILES for N-(4-methylphenyl)pyridine-4-carboxamide;propane is CCC.Cc1ccc(NC(=O)c2ccncc2)cc1.
What is the InChIKey of N-(4-methylphenyl)pyridine-4-carboxamide;propane?
The InChIKey is JKPGHHHKCVLIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O.C3H8/c1-10-2-4-12(5-3-10)15-13(16)11-6-8-14-9-7-11;1-3-2/h2-9H,1H3,(H,15,16);3H2,1-2H3.
What are the key properties of N-(4-methylphenyl)pyridine-4-carboxamide;propane?
N-(4-methylphenyl)pyridine-4-carboxamide;propane has a molecular weight of 256.35 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)pyridine-4-carboxamide;propane is sourced from PubChem (CID 142028273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).