1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

C24H28N4O3 — CID 55815541

IUPAC1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(C(=O)c3cccc(NC(=O)C4CC4C)c3)CC2)c1
InChIInChI=1S/C24H28N4O3/c1-15-6-9-25-21(12-15)27-22(29)17-7-10-28(11-8-17)24(31)18-4-3-5-19(14-18)26-23(30)20-13-16(20)2/h3-6,9,12,14,16-17,20H,7-8,10-11,13H2,1-2H3,(H,26,30)(H,25,27,29)
InChIKeyZWVVUZUEECWSEY-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.48
Rot. Bonds5

About 1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55815541) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55815541
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(C(=O)c3cccc(NC(=O)C4CC4C)c3)CC2)c1
InChIInChI=1S/C24H28N4O3/c1-15-6-9-25-21(12-15)27-22(29)17-7-10-28(11-8-17)24(31)18-4-3-5-19(14-18)26-23(30)20-13-16(20)2/h3-6,9,12,14,16-17,20H,7-8,10-11,13H2,1-2H3,(H,26,30)(H,25,27,29)
InChIKeyZWVVUZUEECWSEY-UHFFFAOYSA-N
XLogP3.48
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119562707
N-(2-methoxyphenyl)-1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]piperidine-4-carboxamide
CID 46432087
N-(4-methyl-2-pyridinyl)-1-[4-(phenylsulfamoyl)benzoyl]piperidine-4-carboxamide
CID 55813137
N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113008221
N-[3-[4-(3-methoxy-4-methylbenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 55808081
N-(3,4-dimethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006439
1-(3,4-dimethylbenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006126
methyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-4-carboxylate
CID 51153861
1-(2-fluorobenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 17019017
N-(4-methyl-2-pyridinyl)-1-[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]piperidine-4-carboxamide
CID 55922165
N-[3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 55651270
2-methyl-N-[3-(4-phenylpiperazine-1-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 55647883

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 55815541) is 1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccnc(NC(=O)C2CCN(C(=O)c3cccc(NC(=O)C4CC4C)c3)CC2)c1.
What is the InChIKey of 1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is ZWVVUZUEECWSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-15-6-9-25-21(12-15)27-22(29)17-7-10-28(11-8-17)24(31)18-4-3-5-19(14-18)26-23(30)20-13-16(20)2/h3-6,9,12,14,16-17,20H,7-8,10-11,13H2,1-2H3,(H,26,30)(H,25,27,29).
What are the key properties of 1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55815541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).