5-(1-cyanobutan-2-yl)-N-phenylpyridine-3-carboxamide

C17H17N3O — CID 138601803

IUPAC5-(1-cyanobutan-2-yl)-N-phenylpyridine-3-carboxamide
SMILESCCC(CC#N)c1cncc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C17H17N3O/c1-2-13(8-9-18)14-10-15(12-19-11-14)17(21)20-16-6-4-3-5-7-16/h3-7,10-13H,2,8H2,1H3,(H,20,21)
InChIKeyFLRMYJAZOWSDDE-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.74
Rot. Bonds5

About 5-(1-cyanobutan-2-yl)-N-phenylpyridine-3-carboxamide

5-(1-cyanobutan-2-yl)-N-phenylpyridine-3-carboxamide (PubChem CID 138601803) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-(1-cyanobutan-2-yl)-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(1-cyanobutan-2-yl)-N-phenylpyridine-3-carboxamide
PubChem CID138601803
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name5-(1-cyanobutan-2-yl)-N-phenylpyridine-3-carboxamide
SMILESCCC(CC#N)c1cncc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C17H17N3O/c1-2-13(8-9-18)14-10-15(12-19-11-14)17(21)20-16-6-4-3-5-7-16/h3-7,10-13H,2,8H2,1H3,(H,20,21)
InChIKeyFLRMYJAZOWSDDE-UHFFFAOYSA-N
XLogP3.74
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-phenyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107769
5-(tert-butylamino)-N-phenylpyridine-3-carboxamide
CID 109239388
5-(dipropylamino)-N-phenylpyridine-3-carboxamide
CID 109241022
N,5-diphenylpyridine-3-carboxamide
CID 110683714
5-N-tert-butyl-3-N-phenylpyridine-3,5-dicarboxamide
CID 109106910
5-[benzyl(ethyl)amino]-N-phenylpyridine-3-carboxamide
CID 109234844
5-[butyl(methyl)amino]-N-phenylpyridine-3-carboxamide
CID 109240365
5-[(4-methylphenyl)methylamino]-N-phenylpyridine-3-carboxamide
CID 109232664
3-N-(4-ethylphenyl)-5-N-(1-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105379
5-bromo-N-(4-butan-2-ylphenyl)pyridine-3-carboxamide
CID 60628517
N-(4-ethylphenyl)-5-(1-phenylethylamino)pyridine-3-carboxamide
CID 109232942
3-N-(3-cyanophenyl)-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109108491

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyanobutan-2-yl)-N-phenylpyridine-3-carboxamide?
The IUPAC name of 5-(1-cyanobutan-2-yl)-N-phenylpyridine-3-carboxamide (CID 138601803) is 5-(1-cyanobutan-2-yl)-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 5-(1-cyanobutan-2-yl)-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 5-(1-cyanobutan-2-yl)-N-phenylpyridine-3-carboxamide is CCC(CC#N)c1cncc(C(=O)Nc2ccccc2)c1.
What is the InChIKey of 5-(1-cyanobutan-2-yl)-N-phenylpyridine-3-carboxamide?
The InChIKey is FLRMYJAZOWSDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-13(8-9-18)14-10-15(12-19-11-14)17(21)20-16-6-4-3-5-7-16/h3-7,10-13H,2,8H2,1H3,(H,20,21).
What are the key properties of 5-(1-cyanobutan-2-yl)-N-phenylpyridine-3-carboxamide?
5-(1-cyanobutan-2-yl)-N-phenylpyridine-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyanobutan-2-yl)-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 138601803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).