2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide

C26H34N4O3 — CID 42867148

IUPAC2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
SMILESCOc1ccccc1C(=O)N1CCC(c2nc(C)ccc2C(=O)NCCN2CCCC2)CC1
InChIInChI=1S/C26H34N4O3/c1-19-9-10-22(25(31)27-13-18-29-14-5-6-15-29)24(28-19)20-11-16-30(17-12-20)26(32)21-7-3-4-8-23(21)33-2/h3-4,7-10,20H,5-6,11-18H2,1-2H3,(H,27,31)
InChIKeyMRKDQSVCCRULMF-UHFFFAOYSA-N
MW450.58 g/mol
LogP3.24
Rot. Bonds7

About 2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide

2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 42867148) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is 2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
PubChem CID42867148
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC Name2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
SMILESCOc1ccccc1C(=O)N1CCC(c2nc(C)ccc2C(=O)NCCN2CCCC2)CC1
InChIInChI=1S/C26H34N4O3/c1-19-9-10-22(25(31)27-13-18-29-14-5-6-15-29)24(28-19)20-11-16-30(17-12-20)26(32)21-7-3-4-8-23(21)33-2/h3-4,7-10,20H,5-6,11-18H2,1-2H3,(H,27,31)
InChIKeyMRKDQSVCCRULMF-UHFFFAOYSA-N
XLogP3.24
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)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

2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 42851966
2-[1-(furan-2-carbonyl)piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 42867138
2-[1-(2-methoxybenzoyl)piperidin-4-yl]-N,6-dimethyl-N-propan-2-ylpyridine-3-carboxamide
CID 42852107
2-[1-[(3-chlorophenyl)carbamoyl]piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 42867410
2-[1-(3-chlorobenzoyl)piperidin-4-yl]-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 46069014
N-[(2-methoxyphenyl)methyl]-2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 83287729
2-[1-[2-(difluoromethoxy)benzoyl]piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 3744816
2-[1-(2-fluorobenzoyl)piperidin-4-yl]-N-[(2-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 42867314
2-[1-(ethylcarbamoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 42867441
2-methoxy-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]benzamide
CID 142795437
2-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-6-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 42867368
2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 46069191

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide (CID 42867148) is 2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide is COc1ccccc1C(=O)N1CCC(c2nc(C)ccc2C(=O)NCCN2CCCC2)CC1.
What is the InChIKey of 2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is MRKDQSVCCRULMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-19-9-10-22(25(31)27-13-18-29-14-5-6-15-29)24(28-19)20-11-16-30(17-12-20)26(32)21-7-3-4-8-23(21)33-2/h3-4,7-10,20H,5-6,11-18H2,1-2H3,(H,27,31).
What are the key properties of 2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide?
2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 450.58 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxybenzoyl)piperidin-4-yl]-6-methyl-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 42867148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).