2-(cyanomethyl)-N-(2,2,3-trimethylbutyl)pyridine-4-carboxamide

C15H21N3O — CID 115116253

IUPAC2-(cyanomethyl)-N-(2,2,3-trimethylbutyl)pyridine-4-carboxamide
SMILESCC(C)C(C)(C)CNC(=O)c1ccnc(CC#N)c1
InChIInChI=1S/C15H21N3O/c1-11(2)15(3,4)10-18-14(19)12-6-8-17-13(9-12)5-7-16/h6,8-9,11H,5,10H2,1-4H3,(H,18,19)
InChIKeyHWFBRLHVGJVYME-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.56
Rot. Bonds5

About 2-(cyanomethyl)-N-(2,2,3-trimethylbutyl)pyridine-4-carboxamide

2-(cyanomethyl)-N-(2,2,3-trimethylbutyl)pyridine-4-carboxamide (PubChem CID 115116253) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(cyanomethyl)-N-(2,2,3-trimethylbutyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cyanomethyl)-N-(2,2,3-trimethylbutyl)pyridine-4-carboxamide
PubChem CID115116253
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(cyanomethyl)-N-(2,2,3-trimethylbutyl)pyridine-4-carboxamide
SMILESCC(C)C(C)(C)CNC(=O)c1ccnc(CC#N)c1
InChIInChI=1S/C15H21N3O/c1-11(2)15(3,4)10-18-14(19)12-6-8-17-13(9-12)5-7-16/h6,8-9,11H,5,10H2,1-4H3,(H,18,19)
InChIKeyHWFBRLHVGJVYME-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(2,2,4-trimethylpentyl)pyridine-4-carboxamide
CID 115115941
2-fluoro-N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65106911
2-chloro-N-(2-hydroxy-2,3-dimethylbutyl)pyridine-4-carboxamide
CID 111483981
2-(cyanomethyl)-N-(1H-pyrrol-3-yl)pyridine-4-carboxamide
CID 115116163
2-(cyanomethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide
CID 115116174
2-(aminomethyl)-N-(2-ethyl-2-hydroxybutyl)pyridine-4-carboxamide
CID 114326677
3-methylpentan-3-yl 3-[[2-(hydroxymethyl)pyridine-4-carbonyl]amino]propanoate
CID 139614946
2-(cyanomethyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyridine-4-carboxamide
CID 115116232
2-(aminomethyl)-N-(2-hydroxy-4-methylpentyl)pyridine-4-carboxamide
CID 104844539
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoropyridine-4-carboxamide
CID 61293798
2-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65036628
3-[(2-chloropyridine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 103791321

Frequently Asked Questions

What is the IUPAC name of 2-(cyanomethyl)-N-(2,2,3-trimethylbutyl)pyridine-4-carboxamide?
The IUPAC name of 2-(cyanomethyl)-N-(2,2,3-trimethylbutyl)pyridine-4-carboxamide (CID 115116253) is 2-(cyanomethyl)-N-(2,2,3-trimethylbutyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(cyanomethyl)-N-(2,2,3-trimethylbutyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(cyanomethyl)-N-(2,2,3-trimethylbutyl)pyridine-4-carboxamide is CC(C)C(C)(C)CNC(=O)c1ccnc(CC#N)c1.
What is the InChIKey of 2-(cyanomethyl)-N-(2,2,3-trimethylbutyl)pyridine-4-carboxamide?
The InChIKey is HWFBRLHVGJVYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)15(3,4)10-18-14(19)12-6-8-17-13(9-12)5-7-16/h6,8-9,11H,5,10H2,1-4H3,(H,18,19).
What are the key properties of 2-(cyanomethyl)-N-(2,2,3-trimethylbutyl)pyridine-4-carboxamide?
2-(cyanomethyl)-N-(2,2,3-trimethylbutyl)pyridine-4-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyanomethyl)-N-(2,2,3-trimethylbutyl)pyridine-4-carboxamide is sourced from PubChem (CID 115116253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).