5-N-butyl-1-(cyclohexylmethyl)-3-N,3-N-dimethyl-4-oxopyridine-3,5-dicarboxamide

C20H31N3O3 — CID 42440572

IUPAC5-N-butyl-1-(cyclohexylmethyl)-3-N,3-N-dimethyl-4-oxopyridine-3,5-dicarboxamide
SMILESCCCCNC(=O)c1cn(CC2CCCCC2)cc(C(=O)N(C)C)c1=O
InChIInChI=1S/C20H31N3O3/c1-4-5-11-21-19(25)16-13-23(12-15-9-7-6-8-10-15)14-17(18(16)24)20(26)22(2)3/h13-15H,4-12H2,1-3H3,(H,21,25)
InChIKeyDRZBQVSIFJRGJH-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.66
Rot. Bonds7

About 5-N-butyl-1-(cyclohexylmethyl)-3-N,3-N-dimethyl-4-oxopyridine-3,5-dicarboxamide

5-N-butyl-1-(cyclohexylmethyl)-3-N,3-N-dimethyl-4-oxopyridine-3,5-dicarboxamide (PubChem CID 42440572) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 5-N-butyl-1-(cyclohexylmethyl)-3-N,3-N-dimethyl-4-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-butyl-1-(cyclohexylmethyl)-3-N,3-N-dimethyl-4-oxopyridine-3,5-dicarboxamide
PubChem CID42440572
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name5-N-butyl-1-(cyclohexylmethyl)-3-N,3-N-dimethyl-4-oxopyridine-3,5-dicarboxamide
SMILESCCCCNC(=O)c1cn(CC2CCCCC2)cc(C(=O)N(C)C)c1=O
InChIInChI=1S/C20H31N3O3/c1-4-5-11-21-19(25)16-13-23(12-15-9-7-6-8-10-15)14-17(18(16)24)20(26)22(2)3/h13-15H,4-12H2,1-3H3,(H,21,25)
InChIKeyDRZBQVSIFJRGJH-UHFFFAOYSA-N
XLogP2.66
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 5-N-butyl-1-(cyclohexylmethyl)-3-N,3-N-dimethyl-4-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-butyl-1-(cyclohexylmethyl)-3-N,3-N-dimethyl-4-oxopyridine-3,5-dicarboxamide (CID 42440572) is 5-N-butyl-1-(cyclohexylmethyl)-3-N,3-N-dimethyl-4-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-butyl-1-(cyclohexylmethyl)-3-N,3-N-dimethyl-4-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-butyl-1-(cyclohexylmethyl)-3-N,3-N-dimethyl-4-oxopyridine-3,5-dicarboxamide is CCCCNC(=O)c1cn(CC2CCCCC2)cc(C(=O)N(C)C)c1=O.
What is the InChIKey of 5-N-butyl-1-(cyclohexylmethyl)-3-N,3-N-dimethyl-4-oxopyridine-3,5-dicarboxamide?
The InChIKey is DRZBQVSIFJRGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-4-5-11-21-19(25)16-13-23(12-15-9-7-6-8-10-15)14-17(18(16)24)20(26)22(2)3/h13-15H,4-12H2,1-3H3,(H,21,25).
What are the key properties of 5-N-butyl-1-(cyclohexylmethyl)-3-N,3-N-dimethyl-4-oxopyridine-3,5-dicarboxamide?
5-N-butyl-1-(cyclohexylmethyl)-3-N,3-N-dimethyl-4-oxopyridine-3,5-dicarboxamide has a molecular weight of 361.49 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-butyl-1-(cyclohexylmethyl)-3-N,3-N-dimethyl-4-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 42440572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).