2-(4-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide

C21H27N3O4 — CID 109166542

IUPAC2-(4-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide
SMILESCOc1cc(NC(=O)c2ccnc(N3CCC(C)CC3)c2)cc(OC)c1OC
InChIInChI=1S/C21H27N3O4/c1-14-6-9-24(10-7-14)19-11-15(5-8-22-19)21(25)23-16-12-17(26-2)20(28-4)18(13-16)27-3/h5,8,11-14H,6-7,9-10H2,1-4H3,(H,23,25)
InChIKeyAITBIYHKPBWZPG-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.60
Rot. Bonds6

About 2-(4-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide

2-(4-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide (PubChem CID 109166542) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide
PubChem CID109166542
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name2-(4-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide
SMILESCOc1cc(NC(=O)c2ccnc(N3CCC(C)CC3)c2)cc(OC)c1OC
InChIInChI=1S/C21H27N3O4/c1-14-6-9-24(10-7-14)19-11-15(5-8-22-19)21(25)23-16-12-17(26-2)20(28-4)18(13-16)27-3/h5,8,11-14H,6-7,9-10H2,1-4H3,(H,23,25)
InChIKeyAITBIYHKPBWZPG-UHFFFAOYSA-N
XLogP3.60
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)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

Related Compounds

1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3-(3,4,5-trimethoxyphenyl)urea
CID 90546257
2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide
CID 117093679
3,4,5-trimethoxy-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 41077549
N-(2-bromophenyl)-2-(4-methylpiperidin-1-yl)pyridine-4-carboxamide
CID 109166535
2-[4-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 46360787
1-[4-(4-methylpiperidin-1-yl)phenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 108992539
3,4-dimethoxy-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]benzamide
CID 122299547
6-(4-methylpiperazin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 109154593
2-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide
CID 109175043
2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 46360654
N-(2,5-dimethoxyphenyl)-2-(3-methylpiperidin-1-yl)pyridine-4-carboxamide
CID 109175778
2-[4-[(3,4-dimethylphenyl)carbamoyl]piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 46360796

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide (CID 109166542) is 2-(4-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide is COc1cc(NC(=O)c2ccnc(N3CCC(C)CC3)c2)cc(OC)c1OC.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide?
The InChIKey is AITBIYHKPBWZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-14-6-9-24(10-7-14)19-11-15(5-8-22-19)21(25)23-16-12-17(26-2)20(28-4)18(13-16)27-3/h5,8,11-14H,6-7,9-10H2,1-4H3,(H,23,25).
What are the key properties of 2-(4-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide?
2-(4-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109166542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).