6-(3-chloroanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide

C21H26ClN3O2 — CID 10385575

IUPAC6-(3-chloroanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)c1cc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCOCC1
InChIInChI=1S/C21H26ClN3O2/c1-14(2)18-11-20(25-17-5-3-4-16(22)10-17)23-13-19(18)21(26)24-12-15-6-8-27-9-7-15/h3-5,10-11,13-15H,6-9,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyUEYZJTDXAXRBSV-UHFFFAOYSA-N
MW387.91 g/mol
LogP4.76
Rot. Bonds6

About 6-(3-chloroanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide

6-(3-chloroanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide (PubChem CID 10385575) has the molecular formula C21H26ClN3O2 and a molecular weight of 387.91 g/mol. Its IUPAC name is 6-(3-chloroanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-chloroanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
PubChem CID10385575
Molecular FormulaC21H26ClN3O2
Molecular Weight387.91 g/mol
Exact Mass387.17
IUPAC Name6-(3-chloroanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)c1cc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCOCC1
InChIInChI=1S/C21H26ClN3O2/c1-14(2)18-11-20(25-17-5-3-4-16(22)10-17)23-13-19(18)21(26)24-12-15-6-8-27-9-7-15/h3-5,10-11,13-15H,6-9,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyUEYZJTDXAXRBSV-UHFFFAOYSA-N
XLogP4.76
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.91
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(3-chloroanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-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 6-(3-chloroanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-(3-chloroanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide (CID 10385575) is 6-(3-chloroanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-(3-chloroanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-(3-chloroanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide is CC(C)c1cc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCOCC1.
What is the InChIKey of 6-(3-chloroanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide?
The InChIKey is UEYZJTDXAXRBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O2/c1-14(2)18-11-20(25-17-5-3-4-16(22)10-17)23-13-19(18)21(26)24-12-15-6-8-27-9-7-15/h3-5,10-11,13-15H,6-9,12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 6-(3-chloroanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide?
6-(3-chloroanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide has a molecular weight of 387.91 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloroanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 10385575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).