N-(1-cyano-3-methylbutyl)-3-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide

C19H25N3O2 — CID 123482849

IUPACN-(1-cyano-3-methylbutyl)-3-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide
SMILESCC(C)CC(C#N)NC(=O)c1nc(OCC2CC2)ccc1C1CC1
InChIInChI=1S/C19H25N3O2/c1-12(2)9-15(10-20)21-19(23)18-16(14-5-6-14)7-8-17(22-18)24-11-13-3-4-13/h7-8,12-15H,3-6,9,11H2,1-2H3,(H,21,23)
InChIKeyMUMAURVQVUDZRJ-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.42
Rot. Bonds8

About N-(1-cyano-3-methylbutyl)-3-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide

N-(1-cyano-3-methylbutyl)-3-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide (PubChem CID 123482849) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(1-cyano-3-methylbutyl)-3-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyano-3-methylbutyl)-3-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide
PubChem CID123482849
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-(1-cyano-3-methylbutyl)-3-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide
SMILESCC(C)CC(C#N)NC(=O)c1nc(OCC2CC2)ccc1C1CC1
InChIInChI=1S/C19H25N3O2/c1-12(2)9-15(10-20)21-19(23)18-16(14-5-6-14)7-8-17(22-18)24-11-13-3-4-13/h7-8,12-15H,3-6,9,11H2,1-2H3,(H,21,23)
InChIKeyMUMAURVQVUDZRJ-UHFFFAOYSA-N
XLogP3.42
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-cyano-3-methylbutyl)-3-cyclopropyl-6-(cyclopropylmethoxy)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

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-3-methylbutyl)-3-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide?
The IUPAC name of N-(1-cyano-3-methylbutyl)-3-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide (CID 123482849) is N-(1-cyano-3-methylbutyl)-3-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-(1-cyano-3-methylbutyl)-3-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-(1-cyano-3-methylbutyl)-3-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide is CC(C)CC(C#N)NC(=O)c1nc(OCC2CC2)ccc1C1CC1.
What is the InChIKey of N-(1-cyano-3-methylbutyl)-3-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide?
The InChIKey is MUMAURVQVUDZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-12(2)9-15(10-20)21-19(23)18-16(14-5-6-14)7-8-17(22-18)24-11-13-3-4-13/h7-8,12-15H,3-6,9,11H2,1-2H3,(H,21,23).
What are the key properties of N-(1-cyano-3-methylbutyl)-3-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide?
N-(1-cyano-3-methylbutyl)-3-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-3-methylbutyl)-3-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 123482849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).