N-[3-cyano-6-(2-methylpropyl)-4-phenyl-2-pyridinyl]acetamide

C18H19N3O — CID 916003

IUPACN-[3-cyano-6-(2-methylpropyl)-4-phenyl-2-pyridinyl]acetamide
SMILESCC(=O)Nc1nc(CC(C)C)cc(-c2ccccc2)c1C#N
InChIInChI=1S/C18H19N3O/c1-12(2)9-15-10-16(14-7-5-4-6-8-14)17(11-19)18(21-15)20-13(3)22/h4-8,10,12H,9H2,1-3H3,(H,20,21,22)
InChIKeyGEAZHAZRDISNGE-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.78
Rot. Bonds4

About N-[3-cyano-6-(2-methylpropyl)-4-phenyl-2-pyridinyl]acetamide

N-[3-cyano-6-(2-methylpropyl)-4-phenyl-2-pyridinyl]acetamide (PubChem CID 916003) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[3-cyano-6-(2-methylpropyl)-4-phenyl-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[3-cyano-6-(2-methylpropyl)-4-phenyl-2-pyridinyl]acetamide
PubChem CID916003
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-[3-cyano-6-(2-methylpropyl)-4-phenyl-2-pyridinyl]acetamide
SMILESCC(=O)Nc1nc(CC(C)C)cc(-c2ccccc2)c1C#N
InChIInChI=1S/C18H19N3O/c1-12(2)9-15-10-16(14-7-5-4-6-8-14)17(11-19)18(21-15)20-13(3)22/h4-8,10,12H,9H2,1-3H3,(H,20,21,22)
InChIKeyGEAZHAZRDISNGE-UHFFFAOYSA-N
XLogP3.78
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ST001233
CID 610514
2-Amino-4,6-diphenylpyridine-3-carbonitrile
CID 668105
N-(2,6-diphenylpyrimidin-4-yl)acetamide
CID 11185362
N-(2,6-diphenylpyrimidin-4-yl)isobutyramide
CID 11313151
N-(2,6-diphenylpyrimidin-4-yl)butyramide
CID 11359018
N-(2,6-diphenylpyrimidin-4-yl)-2-ethylbutyramide
CID 11371386
Propanamide, N-(4,6-diphenyl-2-pyrimidinyl)-2-methyl-
CID 11381543
N-(2,6-Diphenylpyrimidin-4-YL)-2-methylbutanamide
CID 11427528
N-(2,6-diphenylpyrimidin-4-yl)propionamide
CID 11438116
N-(4-amino-5-cyano-6-phenylpyridin-2-yl)acetamide
CID 11658882
N-(2,6-diphenylpyrimidin-4-yl)-3-methylbutyramide
CID 11739042
N-(4,6-dimethylpyridin-2-yl)-2-phenylbutanamide
CID 2852109

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-6-(2-methylpropyl)-4-phenyl-2-pyridinyl]acetamide?
The IUPAC name of N-[3-cyano-6-(2-methylpropyl)-4-phenyl-2-pyridinyl]acetamide (CID 916003) is N-[3-cyano-6-(2-methylpropyl)-4-phenyl-2-pyridinyl]acetamide.
What is the SMILES notation for N-[3-cyano-6-(2-methylpropyl)-4-phenyl-2-pyridinyl]acetamide?
The canonical SMILES for N-[3-cyano-6-(2-methylpropyl)-4-phenyl-2-pyridinyl]acetamide is CC(=O)Nc1nc(CC(C)C)cc(-c2ccccc2)c1C#N.
What is the InChIKey of N-[3-cyano-6-(2-methylpropyl)-4-phenyl-2-pyridinyl]acetamide?
The InChIKey is GEAZHAZRDISNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-12(2)9-15-10-16(14-7-5-4-6-8-14)17(11-19)18(21-15)20-13(3)22/h4-8,10,12H,9H2,1-3H3,(H,20,21,22).
What are the key properties of N-[3-cyano-6-(2-methylpropyl)-4-phenyl-2-pyridinyl]acetamide?
N-[3-cyano-6-(2-methylpropyl)-4-phenyl-2-pyridinyl]acetamide has a molecular weight of 293.37 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-6-(2-methylpropyl)-4-phenyl-2-pyridinyl]acetamide is sourced from PubChem (CID 916003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).