6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2-hydroxycyclohexyl)pyridine-2-carboxamide

C19H25F2N3O3 — CID 71105616

IUPAC6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2-hydroxycyclohexyl)pyridine-2-carboxamide
SMILESO=C(NC1CCCCC1O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
InChIInChI=1S/C19H25F2N3O3/c20-19(21)10-24(11-19)15-8-7-14(23-18(15)27-9-12-5-6-12)17(26)22-13-3-1-2-4-16(13)25/h7-8,12-13,16,25H,1-6,9-11H2,(H,22,26)
InChIKeyQAJNYQOTASUETI-UHFFFAOYSA-N
MW381.42 g/mol
LogP2.36
Rot. Bonds6

About 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2-hydroxycyclohexyl)pyridine-2-carboxamide

6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2-hydroxycyclohexyl)pyridine-2-carboxamide (PubChem CID 71105616) has the molecular formula C19H25F2N3O3 and a molecular weight of 381.42 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2-hydroxycyclohexyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2-hydroxycyclohexyl)pyridine-2-carboxamide
PubChem CID71105616
Molecular FormulaC19H25F2N3O3
Molecular Weight381.42 g/mol
Exact Mass381.19
IUPAC Name6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2-hydroxycyclohexyl)pyridine-2-carboxamide
SMILESO=C(NC1CCCCC1O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1
InChIInChI=1S/C19H25F2N3O3/c20-19(21)10-24(11-19)15-8-7-14(23-18(15)27-9-12-5-6-12)17(26)22-13-3-1-2-4-16(13)25/h7-8,12-13,16,25H,1-6,9-11H2,(H,22,26)
InChIKeyQAJNYQOTASUETI-UHFFFAOYSA-N
XLogP2.36
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2-hydroxycyclohexyl)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 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2-hydroxycyclohexyl)pyridine-2-carboxamide?
The IUPAC name of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2-hydroxycyclohexyl)pyridine-2-carboxamide (CID 71105616) is 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2-hydroxycyclohexyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2-hydroxycyclohexyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2-hydroxycyclohexyl)pyridine-2-carboxamide is O=C(NC1CCCCC1O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1.
What is the InChIKey of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2-hydroxycyclohexyl)pyridine-2-carboxamide?
The InChIKey is QAJNYQOTASUETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N3O3/c20-19(21)10-24(11-19)15-8-7-14(23-18(15)27-9-12-5-6-12)17(26)22-13-3-1-2-4-16(13)25/h7-8,12-13,16,25H,1-6,9-11H2,(H,22,26).
What are the key properties of 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2-hydroxycyclohexyl)pyridine-2-carboxamide?
6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2-hydroxycyclohexyl)pyridine-2-carboxamide has a molecular weight of 381.42 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-N-(2-hydroxycyclohexyl)pyridine-2-carboxamide is sourced from PubChem (CID 71105616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).