N-cyclopropyl-3,6-dimethyl-N-(pyridin-4-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C18H18N4O2 — CID 86928987

IUPACN-cyclopropyl-3,6-dimethyl-N-(pyridin-4-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccncc2)C2CC2)c2c(C)noc2n1
InChIInChI=1S/C18H18N4O2/c1-11-9-15(16-12(2)21-24-17(16)20-11)18(23)22(14-3-4-14)10-13-5-7-19-8-6-13/h5-9,14H,3-4,10H2,1-2H3
InChIKeyBEVBPAQSONVMMH-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.04
Rot. Bonds4

About N-cyclopropyl-3,6-dimethyl-N-(pyridin-4-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-cyclopropyl-3,6-dimethyl-N-(pyridin-4-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 86928987) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-cyclopropyl-3,6-dimethyl-N-(pyridin-4-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3,6-dimethyl-N-(pyridin-4-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID86928987
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-cyclopropyl-3,6-dimethyl-N-(pyridin-4-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccncc2)C2CC2)c2c(C)noc2n1
InChIInChI=1S/C18H18N4O2/c1-11-9-15(16-12(2)21-24-17(16)20-11)18(23)22(14-3-4-14)10-13-5-7-19-8-6-13/h5-9,14H,3-4,10H2,1-2H3
InChIKeyBEVBPAQSONVMMH-UHFFFAOYSA-N
XLogP3.04
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-3,6-dimethyl-N-(pyridin-4-ylmethyl)-[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-cyclopropyl-3,6-dimethyl-N-(pyridin-4-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-cyclopropyl-3,6-dimethyl-N-(pyridin-4-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 86928987) is N-cyclopropyl-3,6-dimethyl-N-(pyridin-4-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-3,6-dimethyl-N-(pyridin-4-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-3,6-dimethyl-N-(pyridin-4-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)N(Cc2ccncc2)C2CC2)c2c(C)noc2n1.
What is the InChIKey of N-cyclopropyl-3,6-dimethyl-N-(pyridin-4-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is BEVBPAQSONVMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-11-9-15(16-12(2)21-24-17(16)20-11)18(23)22(14-3-4-14)10-13-5-7-19-8-6-13/h5-9,14H,3-4,10H2,1-2H3.
What are the key properties of N-cyclopropyl-3,6-dimethyl-N-(pyridin-4-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-cyclopropyl-3,6-dimethyl-N-(pyridin-4-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3,6-dimethyl-N-(pyridin-4-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 86928987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).