N-(cyanomethyl)-N-(2-phenylpropan-2-yl)pyridine-3-carboxamide

C17H17N3O — CID 101423484

IUPACN-(cyanomethyl)-N-(2-phenylpropan-2-yl)pyridine-3-carboxamide
SMILESCC(C)(c1ccccc1)N(CC#N)C(=O)c1cccnc1
InChIInChI=1S/C17H17N3O/c1-17(2,15-8-4-3-5-9-15)20(12-10-18)16(21)14-7-6-11-19-13-14/h3-9,11,13H,12H2,1-2H3
InChIKeyHNWSWPXRCIWELR-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.98
Rot. Bonds4

About N-(cyanomethyl)-N-(2-phenylpropan-2-yl)pyridine-3-carboxamide

N-(cyanomethyl)-N-(2-phenylpropan-2-yl)pyridine-3-carboxamide (PubChem CID 101423484) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(cyanomethyl)-N-(2-phenylpropan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-(2-phenylpropan-2-yl)pyridine-3-carboxamide
PubChem CID101423484
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(cyanomethyl)-N-(2-phenylpropan-2-yl)pyridine-3-carboxamide
SMILESCC(C)(c1ccccc1)N(CC#N)C(=O)c1cccnc1
InChIInChI=1S/C17H17N3O/c1-17(2,15-8-4-3-5-9-15)20(12-10-18)16(21)14-7-6-11-19-13-14/h3-9,11,13H,12H2,1-2H3
InChIKeyHNWSWPXRCIWELR-UHFFFAOYSA-N
XLogP2.98
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethylpyridine-3-carboxamide;hydrogen peroxide
CID 174921681
2-cyano-N-(2-methyl-2-pyridin-3-ylpropyl)acetamide
CID 115173451
N-[2,2-dimethyl-3-[methyl(pyridine-3-carbonyl)amino]propyl]-N-methylpyridine-3-carboxamide
CID 166390474
methyl (2R)-2-methyl-2-phenyl-3-(pyridine-3-carbonylamino)propanoate
CID 99826011
N-(2-phenylpropan-2-yl)pyridine-3-carboxamide
CID 47444755
N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 79290970
N-(3-amino-3-sulfanylidenepropyl)-N-tert-butylpyridine-3-carboxamide
CID 82103638
N-methyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756365
N,N-dimethylpyridine-3-carboxamide;ethane
CID 142562125
N-benzylpyridine-3-carbohydrazide;hydrochloride
CID 173445045
tert-butyl N-benzyl-N-(pyridine-3-carbonyl)carbamate
CID 101149304
CID 157283677
CID 157283677

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-(2-phenylpropan-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-(cyanomethyl)-N-(2-phenylpropan-2-yl)pyridine-3-carboxamide (CID 101423484) is N-(cyanomethyl)-N-(2-phenylpropan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-N-(2-phenylpropan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(cyanomethyl)-N-(2-phenylpropan-2-yl)pyridine-3-carboxamide is CC(C)(c1ccccc1)N(CC#N)C(=O)c1cccnc1.
What is the InChIKey of N-(cyanomethyl)-N-(2-phenylpropan-2-yl)pyridine-3-carboxamide?
The InChIKey is HNWSWPXRCIWELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-17(2,15-8-4-3-5-9-15)20(12-10-18)16(21)14-7-6-11-19-13-14/h3-9,11,13H,12H2,1-2H3.
What are the key properties of N-(cyanomethyl)-N-(2-phenylpropan-2-yl)pyridine-3-carboxamide?
N-(cyanomethyl)-N-(2-phenylpropan-2-yl)pyridine-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-(2-phenylpropan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 101423484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).