N-(5-cyano-2-pyridinyl)-4-methylpentanamide

C12H15N3O — CID 55209976

IUPACN-(5-cyano-2-pyridinyl)-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1ccc(C#N)cn1
InChIInChI=1S/C12H15N3O/c1-9(2)3-6-12(16)15-11-5-4-10(7-13)8-14-11/h4-5,8-9H,3,6H2,1-2H3,(H,14,15,16)
InChIKeyYVGLPQNRKZFWEH-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.33
Rot. Bonds4

About N-(5-cyano-2-pyridinyl)-4-methylpentanamide

N-(5-cyano-2-pyridinyl)-4-methylpentanamide (PubChem CID 55209976) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)-4-methylpentanamide
PubChem CID55209976
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-(5-cyano-2-pyridinyl)-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1ccc(C#N)cn1
InChIInChI=1S/C12H15N3O/c1-9(2)3-6-12(16)15-11-5-4-10(7-13)8-14-11/h4-5,8-9H,3,6H2,1-2H3,(H,14,15,16)
InChIKeyYVGLPQNRKZFWEH-UHFFFAOYSA-N
XLogP2.33
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(5-cyano-2-pyridinyl)acetamide
CID 44574293
propan-2-yl N-(5-cyano-2-pyridinyl)carbamate
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N-(5-cyano-2-pyridinyl)-3-(4-methoxyphenyl)propanamide
CID 62353143
N-(5-cyano-2-pyridinyl)-2-phenylacetamide
CID 62355347
3-(5-cyano-2-pyridinyl)-1,1-dimethylurea
CID 79153512
N-(5-cyano-2-pyridinyl)-2-ethylhexanamide
CID 55063088
2-[(5-cyano-2-pyridinyl)amino]propanamide
CID 43402789
N-(5-cyano-2-pyridinyl)-3-(2,4-difluorophenyl)butanamide
CID 122159677
6-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile
CID 43372308
N-(5-amino-2-pyridinyl)-5-methylhexanamide
CID 115273731
N-(5-cyano-2-pyridinyl)benzamide
CID 23072953
N-(5-cyano-2-pyridinyl)-2,4,5-trimethylbenzamide
CID 115273472

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-pyridinyl)-4-methylpentanamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)-4-methylpentanamide (CID 55209976) is N-(5-cyano-2-pyridinyl)-4-methylpentanamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)-4-methylpentanamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)-4-methylpentanamide is CC(C)CCC(=O)Nc1ccc(C#N)cn1.
What is the InChIKey of N-(5-cyano-2-pyridinyl)-4-methylpentanamide?
The InChIKey is YVGLPQNRKZFWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9(2)3-6-12(16)15-11-5-4-10(7-13)8-14-11/h4-5,8-9H,3,6H2,1-2H3,(H,14,15,16).
What are the key properties of N-(5-cyano-2-pyridinyl)-4-methylpentanamide?
N-(5-cyano-2-pyridinyl)-4-methylpentanamide has a molecular weight of 217.27 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-pyridinyl)-4-methylpentanamide is sourced from PubChem (CID 55209976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).