N-methyl-1-[(3-methylphenyl)methyl]-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide

C25H33N3O3 — CID 158142498

IUPACN-methyl-1-[(3-methylphenyl)methyl]-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CCCCC2CCNCC2)cn(Cc2cccc(C)c2)c1=O
InChIInChI=1S/C25H33N3O3/c1-18-6-5-8-20(14-18)16-28-17-21(15-22(25(28)31)24(30)26-2)23(29)9-4-3-7-19-10-12-27-13-11-19/h5-6,8,14-15,17,19,27H,3-4,7,9-13,16H2,1-2H3,(H,26,30)
InChIKeyFUCOVKIRIFGMKS-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.31
Rot. Bonds9

About N-methyl-1-[(3-methylphenyl)methyl]-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide

N-methyl-1-[(3-methylphenyl)methyl]-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide (PubChem CID 158142498) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-methyl-1-[(3-methylphenyl)methyl]-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[(3-methylphenyl)methyl]-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide
PubChem CID158142498
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC NameN-methyl-1-[(3-methylphenyl)methyl]-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide
SMILESCNC(=O)c1cc(C(=O)CCCCC2CCNCC2)cn(Cc2cccc(C)c2)c1=O
InChIInChI=1S/C25H33N3O3/c1-18-6-5-8-20(14-18)16-28-17-21(15-22(25(28)31)24(30)26-2)23(29)9-4-3-7-19-10-12-27-13-11-19/h5-6,8,14-15,17,19,27H,3-4,7,9-13,16H2,1-2H3,(H,26,30)
InChIKeyFUCOVKIRIFGMKS-UHFFFAOYSA-N
XLogP3.31
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(3-methylphenyl)methyl]-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide?
The IUPAC name of N-methyl-1-[(3-methylphenyl)methyl]-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide (CID 158142498) is N-methyl-1-[(3-methylphenyl)methyl]-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-1-[(3-methylphenyl)methyl]-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide?
The canonical SMILES for N-methyl-1-[(3-methylphenyl)methyl]-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide is CNC(=O)c1cc(C(=O)CCCCC2CCNCC2)cn(Cc2cccc(C)c2)c1=O.
What is the InChIKey of N-methyl-1-[(3-methylphenyl)methyl]-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide?
The InChIKey is FUCOVKIRIFGMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-18-6-5-8-20(14-18)16-28-17-21(15-22(25(28)31)24(30)26-2)23(29)9-4-3-7-19-10-12-27-13-11-19/h5-6,8,14-15,17,19,27H,3-4,7,9-13,16H2,1-2H3,(H,26,30).
What are the key properties of N-methyl-1-[(3-methylphenyl)methyl]-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide?
N-methyl-1-[(3-methylphenyl)methyl]-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 3.31, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(3-methylphenyl)methyl]-2-oxo-5-(5-piperidin-4-ylpentanoyl)pyridine-3-carboxamide is sourced from PubChem (CID 158142498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).