N-(2-cyclopropyl-2-hydroxypropyl)-6-(cyclopropylmethoxy)-5-(4-fluorophenyl)pyridine-3-carboxamide

C22H25FN2O3 — CID 21109682

IUPACN-(2-cyclopropyl-2-hydroxypropyl)-6-(cyclopropylmethoxy)-5-(4-fluorophenyl)pyridine-3-carboxamide
SMILESCC(O)(CNC(=O)c1cnc(OCC2CC2)c(-c2ccc(F)cc2)c1)C1CC1
InChIInChI=1S/C22H25FN2O3/c1-22(27,17-6-7-17)13-25-20(26)16-10-19(15-4-8-18(23)9-5-15)21(24-11-16)28-12-14-2-3-14/h4-5,8-11,14,17,27H,2-3,6-7,12-13H2,1H3,(H,25,26)
InChIKeyVPGLSDHLTYRIMS-UHFFFAOYSA-N
MW384.45 g/mol
LogP3.57
Rot. Bonds8

About N-(2-cyclopropyl-2-hydroxypropyl)-6-(cyclopropylmethoxy)-5-(4-fluorophenyl)pyridine-3-carboxamide

N-(2-cyclopropyl-2-hydroxypropyl)-6-(cyclopropylmethoxy)-5-(4-fluorophenyl)pyridine-3-carboxamide (PubChem CID 21109682) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxypropyl)-6-(cyclopropylmethoxy)-5-(4-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxypropyl)-6-(cyclopropylmethoxy)-5-(4-fluorophenyl)pyridine-3-carboxamide
PubChem CID21109682
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC NameN-(2-cyclopropyl-2-hydroxypropyl)-6-(cyclopropylmethoxy)-5-(4-fluorophenyl)pyridine-3-carboxamide
SMILESCC(O)(CNC(=O)c1cnc(OCC2CC2)c(-c2ccc(F)cc2)c1)C1CC1
InChIInChI=1S/C22H25FN2O3/c1-22(27,17-6-7-17)13-25-20(26)16-10-19(15-4-8-18(23)9-5-15)21(24-11-16)28-12-14-2-3-14/h4-5,8-11,14,17,27H,2-3,6-7,12-13H2,1H3,(H,25,26)
InChIKeyVPGLSDHLTYRIMS-UHFFFAOYSA-N
XLogP3.57
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-cyclopropyl-2-hydroxypropyl)-6-(cyclopropylmethoxy)-5-(4-fluorophenyl)pyridine-3-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-(2-cyclopropyl-2-hydroxypropyl)-6-(cyclopropylmethoxy)-5-(4-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-6-(cyclopropylmethoxy)-5-(4-fluorophenyl)pyridine-3-carboxamide (CID 21109682) is N-(2-cyclopropyl-2-hydroxypropyl)-6-(cyclopropylmethoxy)-5-(4-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxypropyl)-6-(cyclopropylmethoxy)-5-(4-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxypropyl)-6-(cyclopropylmethoxy)-5-(4-fluorophenyl)pyridine-3-carboxamide is CC(O)(CNC(=O)c1cnc(OCC2CC2)c(-c2ccc(F)cc2)c1)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxypropyl)-6-(cyclopropylmethoxy)-5-(4-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is VPGLSDHLTYRIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-22(27,17-6-7-17)13-25-20(26)16-10-19(15-4-8-18(23)9-5-15)21(24-11-16)28-12-14-2-3-14/h4-5,8-11,14,17,27H,2-3,6-7,12-13H2,1H3,(H,25,26).
What are the key properties of N-(2-cyclopropyl-2-hydroxypropyl)-6-(cyclopropylmethoxy)-5-(4-fluorophenyl)pyridine-3-carboxamide?
N-(2-cyclopropyl-2-hydroxypropyl)-6-(cyclopropylmethoxy)-5-(4-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 384.45 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxypropyl)-6-(cyclopropylmethoxy)-5-(4-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 21109682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).