N-(2-methoxy-5-methylphenyl)-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-4-carboxamide

C24H26N4O3 — CID 53024421

IUPACN-(2-methoxy-5-methylphenyl)-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCN(C(=O)c2cccn2-c2cccnc2)CC1
InChIInChI=1S/C24H26N4O3/c1-17-7-8-22(31-2)20(15-17)26-23(29)18-9-13-27(14-10-18)24(30)21-6-4-12-28(21)19-5-3-11-25-16-19/h3-8,11-12,15-16,18H,9-10,13-14H2,1-2H3,(H,26,29)
InChIKeyUFXAOTILOLEMCP-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.68
Rot. Bonds5

About N-(2-methoxy-5-methylphenyl)-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-4-carboxamide

N-(2-methoxy-5-methylphenyl)-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-4-carboxamide (PubChem CID 53024421) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-4-carboxamide
PubChem CID53024421
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-(2-methoxy-5-methylphenyl)-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCN(C(=O)c2cccn2-c2cccnc2)CC1
InChIInChI=1S/C24H26N4O3/c1-17-7-8-22(31-2)20(15-17)26-23(29)18-9-13-27(14-10-18)24(30)21-6-4-12-28(21)19-5-3-11-25-16-19/h3-8,11-12,15-16,18H,9-10,13-14H2,1-2H3,(H,26,29)
InChIKeyUFXAOTILOLEMCP-UHFFFAOYSA-N
XLogP3.68
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-4-carboxamide
CID 53004626
N-(2-methoxy-5-methylphenyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 20851619
N-(2-methoxy-5-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113007595
tert-butyl 4-[(2-methoxy-5-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 29206094
1-(2,4-difluorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 30430699
N-(2-methoxy-5-methylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113007591
N-(2-methoxyphenyl)-1-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperidine-4-carboxamide
CID 38646128
N-[(2,5-dimethoxyphenyl)methyl]-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-3-carboxamide
CID 50765425
N-(2-methoxy-5-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147450
N-(2-methoxy-5-methylphenyl)-1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 6497512
N-(2-methoxy-5-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 893526
N-(2-methoxyphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 38646202

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-4-carboxamide (CID 53024421) is N-(2-methoxy-5-methylphenyl)-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-4-carboxamide is COc1ccc(C)cc1NC(=O)C1CCN(C(=O)c2cccn2-c2cccnc2)CC1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is UFXAOTILOLEMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-17-7-8-22(31-2)20(15-17)26-23(29)18-9-13-27(14-10-18)24(30)21-6-4-12-28(21)19-5-3-11-25-16-19/h3-8,11-12,15-16,18H,9-10,13-14H2,1-2H3,(H,26,29).
What are the key properties of N-(2-methoxy-5-methylphenyl)-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-4-carboxamide?
N-(2-methoxy-5-methylphenyl)-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-1-(1-pyridin-3-ylpyrrole-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 53024421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).