2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide

C25H34N4O5 — CID 117093679

IUPAC2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(c2cc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)ccn2)C1
InChIInChI=1S/C25H34N4O5/c1-6-28(7-2)25(31)18-9-8-12-29(16-18)22-13-17(10-11-26-22)24(30)27-19-14-20(32-3)23(34-5)21(15-19)33-4/h10-11,13-15,18H,6-9,12,16H2,1-5H3,(H,27,30)
InChIKeyBFSQZJACJFZPTL-UHFFFAOYSA-N
MW470.57 g/mol
LogP3.44
Rot. Bonds9

About 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide

2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide (PubChem CID 117093679) has the molecular formula C25H34N4O5 and a molecular weight of 470.57 g/mol. Its IUPAC name is 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide
PubChem CID117093679
Molecular FormulaC25H34N4O5
Molecular Weight470.57 g/mol
Exact Mass470.25
IUPAC Name2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(c2cc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)ccn2)C1
InChIInChI=1S/C25H34N4O5/c1-6-28(7-2)25(31)18-9-8-12-29(16-18)22-13-17(10-11-26-22)24(30)27-19-14-20(32-3)23(34-5)21(15-19)33-4/h10-11,13-15,18H,6-9,12,16H2,1-5H3,(H,27,30)
InChIKeyBFSQZJACJFZPTL-UHFFFAOYSA-N
XLogP3.44
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[3-(diethylcarbamoyl)piperidin-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

2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-propylpyridine-4-carboxamide
CID 117090636
2-(4-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide
CID 109166542
(3S)-N,N-diethyl-1-(6-methoxypyrimidin-4-yl)piperidine-3-carboxamide
CID 95125854
(3R)-1-(6-methoxypyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 97264345
1-pyrazin-2-yl-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 46573508
(3R)-1-(6-chloropyridazin-3-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 94161179
N-(4-acetamidophenyl)-6-[3-(diethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxamide
CID 117094656
N,N-diethyl-1-[9-phenyl-6-(3,4,5-trimethoxyanilino)purin-2-yl]piperidine-3-carboxamide
CID 117082399
ethyl 4-[[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]amino]benzoate
CID 109175803
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 43066238
4-N,4-N-diethyl-1-N-(3,4,5-trimethoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109149494
N-(2,5-dimethoxyphenyl)-2-(3-methylpiperidin-1-yl)pyridine-4-carboxamide
CID 109175778

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide (CID 117093679) is 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide is CCN(CC)C(=O)C1CCCN(c2cc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)ccn2)C1.
What is the InChIKey of 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide?
The InChIKey is BFSQZJACJFZPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O5/c1-6-28(7-2)25(31)18-9-8-12-29(16-18)22-13-17(10-11-26-22)24(30)27-19-14-20(32-3)23(34-5)21(15-19)33-4/h10-11,13-15,18H,6-9,12,16H2,1-5H3,(H,27,30).
What are the key properties of 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide?
2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 3.44, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylcarbamoyl)piperidin-1-yl]-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 117093679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).