6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

C24H30N4O3 — CID 68740126

IUPAC6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccc(CC(=O)N2CCN(c3ccc(C(=O)NCC4CCCO4)cn3)CC2)cc1
InChIInChI=1S/C24H30N4O3/c1-18-4-6-19(7-5-18)15-23(29)28-12-10-27(11-13-28)22-9-8-20(16-25-22)24(30)26-17-21-3-2-14-31-21/h4-9,16,21H,2-3,10-15,17H2,1H3,(H,26,30)
InChIKeyPEJQXCFOUWBSRY-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.19
Rot. Bonds6

About 6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide

6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 68740126) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
PubChem CID68740126
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccc(CC(=O)N2CCN(c3ccc(C(=O)NCC4CCCO4)cn3)CC2)cc1
InChIInChI=1S/C24H30N4O3/c1-18-4-6-19(7-5-18)15-23(29)28-12-10-27(11-13-28)22-9-8-20(16-25-22)24(30)26-17-21-3-2-14-31-21/h4-9,16,21H,2-3,10-15,17H2,1H3,(H,26,30)
InChIKeyPEJQXCFOUWBSRY-UHFFFAOYSA-N
XLogP2.19
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-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

Related Compounds

6-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 68740839
6-morpholin-4-yl-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 724881
6-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109153645
N-(2-methylbutyl)-6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]pyridine-3-carboxamide
CID 68740844
N-(oxolan-2-ylmethyl)-6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide
CID 68738911
N-(oxolan-2-ylmethyl)-6-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 68739534
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109153644
6-[1-[2-methyl-2-(4-methylphenyl)propanoyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 110264404
2-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
CID 112991346
6-fluoro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 63972348
(4-methylphenyl)-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053660
6-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 92637019

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide (CID 68740126) is 6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is Cc1ccc(CC(=O)N2CCN(c3ccc(C(=O)NCC4CCCO4)cn3)CC2)cc1.
What is the InChIKey of 6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is PEJQXCFOUWBSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-18-4-6-19(7-5-18)15-23(29)28-12-10-27(11-13-28)22-9-8-20(16-25-22)24(30)26-17-21-3-2-14-31-21/h4-9,16,21H,2-3,10-15,17H2,1H3,(H,26,30).
What are the key properties of 6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide?
6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 68740126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).