5-cyano-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-2-carboxamide

C14H19N3O2 — CID 61247495

IUPAC5-cyano-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-2-carboxamide
SMILESCc1nc(C(=O)NC(CO)CC(C)C)ccc1C#N
InChIInChI=1S/C14H19N3O2/c1-9(2)6-12(8-18)17-14(19)13-5-4-11(7-15)10(3)16-13/h4-5,9,12,18H,6,8H2,1-3H3,(H,17,19)
InChIKeyKPSWQPPOTKIWNF-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.40
Rot. Bonds5

About 5-cyano-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-2-carboxamide

5-cyano-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-2-carboxamide (PubChem CID 61247495) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-cyano-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-2-carboxamide
PubChem CID61247495
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5-cyano-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-2-carboxamide
SMILESCc1nc(C(=O)NC(CO)CC(C)C)ccc1C#N
InChIInChI=1S/C14H19N3O2/c1-9(2)6-12(8-18)17-14(19)13-5-4-11(7-15)10(3)16-13/h4-5,9,12,18H,6,8H2,1-3H3,(H,17,19)
InChIKeyKPSWQPPOTKIWNF-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-cyano-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-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

5-cyano-N-[(2R)-1-hydroxypropan-2-yl]-6-methylpyridine-2-carboxamide
CID 79031139
5-cyano-N-(1-hydroxypentan-3-yl)-6-methylpyridine-2-carboxamide
CID 115767165
5-cyano-N-(2-hydroxy-1-phenylethyl)-6-methylpyridine-2-carboxamide
CID 63182583
methyl 2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-3-methylbutanoate
CID 43424083
(E)-2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hex-4-enoic acid
CID 120694040
2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115284162
3-[(5-cyano-6-methylpyridine-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166861
6-[(5-cyano-6-methylpyridine-2-carbonyl)amino]hexanoic acid
CID 43352877
5-cyano-N-[2-ethyl-2-(hydroxymethyl)butyl]-6-methylpyridine-2-carboxamide
CID 103843212
5-cyano-6-methylpyridine-2-carboxylic acid;ethane
CID 143901939
N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-3-carboxamide
CID 61247488
2-[[2-[(5-cyano-6-methylpyridine-2-carbonyl)amino]acetyl]amino]acetic acid
CID 43465318

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-2-carboxamide (CID 61247495) is 5-cyano-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-2-carboxamide is Cc1nc(C(=O)NC(CO)CC(C)C)ccc1C#N.
What is the InChIKey of 5-cyano-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-2-carboxamide?
The InChIKey is KPSWQPPOTKIWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9(2)6-12(8-18)17-14(19)13-5-4-11(7-15)10(3)16-13/h4-5,9,12,18H,6,8H2,1-3H3,(H,17,19).
What are the key properties of 5-cyano-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-2-carboxamide?
5-cyano-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(1-hydroxy-4-methylpentan-2-yl)-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 61247495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).