N-(2-methylpropyl)-5-phenylpyridine-3-carboxamide

C16H18N2O — CID 42845323

IUPACN-(2-methylpropyl)-5-phenylpyridine-3-carboxamide
SMILESCC(C)CNC(=O)c1cncc(-c2ccccc2)c1
InChIInChI=1S/C16H18N2O/c1-12(2)9-18-16(19)15-8-14(10-17-11-15)13-6-4-3-5-7-13/h3-8,10-12H,9H2,1-2H3,(H,18,19)
InChIKeyDSVRJWUNIQJBFZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.13
Rot. Bonds4

About N-(2-methylpropyl)-5-phenylpyridine-3-carboxamide

N-(2-methylpropyl)-5-phenylpyridine-3-carboxamide (PubChem CID 42845323) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(2-methylpropyl)-5-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-5-phenylpyridine-3-carboxamide
PubChem CID42845323
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-(2-methylpropyl)-5-phenylpyridine-3-carboxamide
SMILESCC(C)CNC(=O)c1cncc(-c2ccccc2)c1
InChIInChI=1S/C16H18N2O/c1-12(2)9-18-16(19)15-8-14(10-17-11-15)13-6-4-3-5-7-13/h3-8,10-12H,9H2,1-2H3,(H,18,19)
InChIKeyDSVRJWUNIQJBFZ-UHFFFAOYSA-N
XLogP3.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpropyl)-4-(4-phenylphenyl)benzamide
CID 145125410
5-N-(2-methylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide
CID 109102183
N-(2-amino-2-ethylbutyl)-5-phenylpyridine-3-carboxamide;dihydrochloride
CID 119641823
N,5-diphenylpyridine-3-carboxamide
CID 110683714
5-(2,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109224826
N-(3-amino-2-methylpropyl)-5-[4-(dimethylamino)phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119998431
N-(2-methylpropyl)-5-[2-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109224865
N-benzyl-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53020816
5-N-(2,3-dimethylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide
CID 109102194
5-[3-(ethylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 53224075
N-(3-aminobutyl)-5-(4-chlorophenyl)pyridine-3-carboxamide;dihydrochloride
CID 119498518
2-[[[5-(4-methylphenyl)pyridine-3-carbonyl]amino]methyl]benzoic acid
CID 167762508

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-5-phenylpyridine-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-5-phenylpyridine-3-carboxamide (CID 42845323) is N-(2-methylpropyl)-5-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-5-phenylpyridine-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-5-phenylpyridine-3-carboxamide is CC(C)CNC(=O)c1cncc(-c2ccccc2)c1.
What is the InChIKey of N-(2-methylpropyl)-5-phenylpyridine-3-carboxamide?
The InChIKey is DSVRJWUNIQJBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12(2)9-18-16(19)15-8-14(10-17-11-15)13-6-4-3-5-7-13/h3-8,10-12H,9H2,1-2H3,(H,18,19).
What are the key properties of N-(2-methylpropyl)-5-phenylpyridine-3-carboxamide?
N-(2-methylpropyl)-5-phenylpyridine-3-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-5-phenylpyridine-3-carboxamide is sourced from PubChem (CID 42845323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).