3-N-(cyclohexylmethyl)-5-N-ethyl-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide

C20H31N3O3 — CID 26333417

IUPAC3-N-(cyclohexylmethyl)-5-N-ethyl-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
SMILESCCNC(=O)c1cn(CC(C)C)cc(C(=O)NCC2CCCCC2)c1=O
InChIInChI=1S/C20H31N3O3/c1-4-21-19(25)16-12-23(11-14(2)3)13-17(18(16)24)20(26)22-10-15-8-6-5-7-9-15/h12-15H,4-11H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyAHBQHILYARETME-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.56
Rot. Bonds7

About 3-N-(cyclohexylmethyl)-5-N-ethyl-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide

3-N-(cyclohexylmethyl)-5-N-ethyl-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide (PubChem CID 26333417) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 3-N-(cyclohexylmethyl)-5-N-ethyl-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(cyclohexylmethyl)-5-N-ethyl-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
PubChem CID26333417
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name3-N-(cyclohexylmethyl)-5-N-ethyl-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide
SMILESCCNC(=O)c1cn(CC(C)C)cc(C(=O)NCC2CCCCC2)c1=O
InChIInChI=1S/C20H31N3O3/c1-4-21-19(25)16-12-23(11-14(2)3)13-17(18(16)24)20(26)22-10-15-8-6-5-7-9-15/h12-15H,4-11H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyAHBQHILYARETME-UHFFFAOYSA-N
XLogP2.56
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(cyclohexylmethyl)-5-N-ethyl-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-(cyclohexylmethyl)-5-N-ethyl-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide (CID 26333417) is 3-N-(cyclohexylmethyl)-5-N-ethyl-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(cyclohexylmethyl)-5-N-ethyl-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(cyclohexylmethyl)-5-N-ethyl-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide is CCNC(=O)c1cn(CC(C)C)cc(C(=O)NCC2CCCCC2)c1=O.
What is the InChIKey of 3-N-(cyclohexylmethyl)-5-N-ethyl-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide?
The InChIKey is AHBQHILYARETME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-4-21-19(25)16-12-23(11-14(2)3)13-17(18(16)24)20(26)22-10-15-8-6-5-7-9-15/h12-15H,4-11H2,1-3H3,(H,21,25)(H,22,26).
What are the key properties of 3-N-(cyclohexylmethyl)-5-N-ethyl-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide?
3-N-(cyclohexylmethyl)-5-N-ethyl-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide has a molecular weight of 361.49 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(cyclohexylmethyl)-5-N-ethyl-1-(2-methylpropyl)-4-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 26333417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).