2-cyano-N-(2,2,4-trimethylpentyl)pyridine-4-carboxamide

C15H21N3O — CID 115115941

IUPAC2-cyano-N-(2,2,4-trimethylpentyl)pyridine-4-carboxamide
SMILESCC(C)CC(C)(C)CNC(=O)c1ccnc(C#N)c1
InChIInChI=1S/C15H21N3O/c1-11(2)8-15(3,4)10-18-14(19)12-5-6-17-13(7-12)9-16/h5-7,11H,8,10H2,1-4H3,(H,18,19)
InChIKeyFKEDQPQONAPCRA-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.76
Rot. Bonds5

About 2-cyano-N-(2,2,4-trimethylpentyl)pyridine-4-carboxamide

2-cyano-N-(2,2,4-trimethylpentyl)pyridine-4-carboxamide (PubChem CID 115115941) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-cyano-N-(2,2,4-trimethylpentyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-cyano-N-(2,2,4-trimethylpentyl)pyridine-4-carboxamide
PubChem CID115115941
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-cyano-N-(2,2,4-trimethylpentyl)pyridine-4-carboxamide
SMILESCC(C)CC(C)(C)CNC(=O)c1ccnc(C#N)c1
InChIInChI=1S/C15H21N3O/c1-11(2)8-15(3,4)10-18-14(19)12-5-6-17-13(7-12)9-16/h5-7,11H,8,10H2,1-4H3,(H,18,19)
InChIKeyFKEDQPQONAPCRA-UHFFFAOYSA-N
XLogP2.76
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-propan-2-ylpyridine-4-carboxamide
CID 112520008
3-(methylamino)-N-(2,2,4-trimethylpentyl)benzamide
CID 115160955
2-cyano-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide
CID 112527763
2-cyano-N-(2-cyclopentylethyl)pyridine-4-carboxamide
CID 115115922
2-cyano-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide
CID 115115877
2-(cyanomethyl)-N-(2,2,3-trimethylbutyl)pyridine-4-carboxamide
CID 115116253
4-[2-(tert-butylamino)acetyl]pyridine-2-carbonitrile
CID 170645061
3-(aminomethyl)-N-(2,2,4-trimethylpentyl)benzamide
CID 115161209
2-cyano-N-[(2,4-dimethylphenyl)methyl]pyridine-4-carboxamide
CID 115115865
2-cyano-N'-(pyridine-4-carbonyl)pyridine-4-carbohydrazide
CID 175673334
2-chloro-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-4-carboxamide
CID 111483981
2-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide
CID 146127465

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,2,4-trimethylpentyl)pyridine-4-carboxamide?
The IUPAC name of 2-cyano-N-(2,2,4-trimethylpentyl)pyridine-4-carboxamide (CID 115115941) is 2-cyano-N-(2,2,4-trimethylpentyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-cyano-N-(2,2,4-trimethylpentyl)pyridine-4-carboxamide?
The canonical SMILES for 2-cyano-N-(2,2,4-trimethylpentyl)pyridine-4-carboxamide is CC(C)CC(C)(C)CNC(=O)c1ccnc(C#N)c1.
What is the InChIKey of 2-cyano-N-(2,2,4-trimethylpentyl)pyridine-4-carboxamide?
The InChIKey is FKEDQPQONAPCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)8-15(3,4)10-18-14(19)12-5-6-17-13(7-12)9-16/h5-7,11H,8,10H2,1-4H3,(H,18,19).
What are the key properties of 2-cyano-N-(2,2,4-trimethylpentyl)pyridine-4-carboxamide?
2-cyano-N-(2,2,4-trimethylpentyl)pyridine-4-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,2,4-trimethylpentyl)pyridine-4-carboxamide is sourced from PubChem (CID 115115941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).