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

C22H29N3O2 — CID 44569925

IUPAC6-(3-methylanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
SMILESCc1cccc(Nc2cc(C(C)C)c(C(=O)NCC3CCOCC3)cn2)c1
InChIInChI=1S/C22H29N3O2/c1-15(2)19-12-21(25-18-6-4-5-16(3)11-18)23-14-20(19)22(26)24-13-17-7-9-27-10-8-17/h4-6,11-12,14-15,17H,7-10,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyQWIFCKKBFJGTGR-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.41
Rot. Bonds6

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

6-(3-methylanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide (PubChem CID 44569925) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 6-(3-methylanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-methylanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
PubChem CID44569925
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name6-(3-methylanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
SMILESCc1cccc(Nc2cc(C(C)C)c(C(=O)NCC3CCOCC3)cn2)c1
InChIInChI=1S/C22H29N3O2/c1-15(2)19-12-21(25-18-6-4-5-16(3)11-18)23-14-20(19)22(26)24-13-17-7-9-27-10-8-17/h4-6,11-12,14-15,17H,7-10,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyQWIFCKKBFJGTGR-UHFFFAOYSA-N
XLogP4.41
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(3-methylanilino)-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-methylanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-(3-methylanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide (CID 44569925) is 6-(3-methylanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-(3-methylanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-(3-methylanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide is Cc1cccc(Nc2cc(C(C)C)c(C(=O)NCC3CCOCC3)cn2)c1.
What is the InChIKey of 6-(3-methylanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide?
The InChIKey is QWIFCKKBFJGTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-15(2)19-12-21(25-18-6-4-5-16(3)11-18)23-14-20(19)22(26)24-13-17-7-9-27-10-8-17/h4-6,11-12,14-15,17H,7-10,13H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 6-(3-methylanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide?
6-(3-methylanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 44569925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).