N-(3-cyanophenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C18H14N4O2 — CID 25497336

IUPACN-(3-cyanophenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C3CC3)cc(C(=O)Nc3cccc(C#N)c3)c12
InChIInChI=1S/C18H14N4O2/c1-10-16-14(8-15(12-5-6-12)21-18(16)24-22-10)17(23)20-13-4-2-3-11(7-13)9-19/h2-4,7-8,12H,5-6H2,1H3,(H,20,23)
InChIKeyDAVPHJGEYBRIPP-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.53
Rot. Bonds3

About N-(3-cyanophenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-(3-cyanophenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 25497336) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is N-(3-cyanophenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID25497336
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC NameN-(3-cyanophenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1noc2nc(C3CC3)cc(C(=O)Nc3cccc(C#N)c3)c12
InChIInChI=1S/C18H14N4O2/c1-10-16-14(8-15(12-5-6-12)21-18(16)24-22-10)17(23)20-13-4-2-3-11(7-13)9-19/h2-4,7-8,12H,5-6H2,1H3,(H,20,23)
InChIKeyDAVPHJGEYBRIPP-UHFFFAOYSA-N
XLogP3.53
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-cyanophenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-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-(3-cyanophenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 25497336) is N-(3-cyanophenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(C3CC3)cc(C(=O)Nc3cccc(C#N)c3)c12.
What is the InChIKey of N-(3-cyanophenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is DAVPHJGEYBRIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-10-16-14(8-15(12-5-6-12)21-18(16)24-22-10)17(23)20-13-4-2-3-11(7-13)9-19/h2-4,7-8,12H,5-6H2,1H3,(H,20,23).
What are the key properties of N-(3-cyanophenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-(3-cyanophenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 318.34 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 25497336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).