5-cyano-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide

C14H19N3O2 — CID 111480323

IUPAC5-cyano-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)c1ccc(C#N)cn1
InChIInChI=1S/C14H19N3O2/c1-10(18)6-14(2,3)9-17-13(19)12-5-4-11(7-15)8-16-12/h4-5,8,10,18H,6,9H2,1-3H3,(H,17,19)
InChIKeyGZHBNTAURNKSBC-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.48
Rot. Bonds5

About 5-cyano-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide

5-cyano-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide (PubChem CID 111480323) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-cyano-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide
PubChem CID111480323
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5-cyano-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)c1ccc(C#N)cn1
InChIInChI=1S/C14H19N3O2/c1-10(18)6-14(2,3)9-17-13(19)12-5-4-11(7-15)8-16-12/h4-5,8,10,18H,6,9H2,1-3H3,(H,17,19)
InChIKeyGZHBNTAURNKSBC-UHFFFAOYSA-N
XLogP1.48
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-cyano-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Safironil
CID 65973
5-Cyanopyridine-2-carboxamide
CID 11275086
Gaba-picolinoyl-N
CID 1713718
5-(2-cyclopropylethynyl)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyridine-2-carboxamide
CID 53384854
Hydroxyethylamine-based inhibitor 6
CID 6539258
N-(2-Hydroxyethyl)picolinamide
CID 2045999
4-(Aminomethyl)-N-(2-methoxyethyl)picolinamide hydrochloride
CID 117558510
5-(aminomethyl)-N-methylpyridine-2-carboxamide hydrochloride
CID 118377358
Atransfusarin
CID 146683511
Pyridine-2,4-dicarboxylic-diethylamide
CID 3081128
5-(aminomethyl)-N-methylpyridine-2-carboxamide
CID 63723518
5-cyano-N,N-dimethylpyridine-2-carboxamide
CID 54595312

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide (CID 111480323) is 5-cyano-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide is CC(O)CC(C)(C)CNC(=O)c1ccc(C#N)cn1.
What is the InChIKey of 5-cyano-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide?
The InChIKey is GZHBNTAURNKSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(18)6-14(2,3)9-17-13(19)12-5-4-11(7-15)8-16-12/h4-5,8,10,18H,6,9H2,1-3H3,(H,17,19).
What are the key properties of 5-cyano-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide?
5-cyano-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-2-carboxamide is sourced from PubChem (CID 111480323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).