1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-N-[3-(oxan-4-yl)-2-phenylpropyl]-6-oxopyridine-3-carboxamide

C25H33N3O4 — CID 164609201

IUPAC1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-N-[3-(oxan-4-yl)-2-phenylpropyl]-6-oxopyridine-3-carboxamide
SMILESCNC(=O)CN(CC(CC1CCOCC1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1
InChIInChI=1S/C25H33N3O4/c1-18-13-22(15-27(3)24(18)30)25(31)28(17-23(29)26-2)16-21(20-7-5-4-6-8-20)14-19-9-11-32-12-10-19/h4-8,13,15,19,21H,9-12,14,16-17H2,1-3H3,(H,26,29)
InChIKeyGHXPKEQUHXTVGQ-UHFFFAOYSA-N
MW439.56 g/mol
LogP2.48
Rot. Bonds8

About 1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-N-[3-(oxan-4-yl)-2-phenylpropyl]-6-oxopyridine-3-carboxamide

1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-N-[3-(oxan-4-yl)-2-phenylpropyl]-6-oxopyridine-3-carboxamide (PubChem CID 164609201) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is 1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-N-[3-(oxan-4-yl)-2-phenylpropyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-N-[3-(oxan-4-yl)-2-phenylpropyl]-6-oxopyridine-3-carboxamide
PubChem CID164609201
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC Name1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-N-[3-(oxan-4-yl)-2-phenylpropyl]-6-oxopyridine-3-carboxamide
SMILESCNC(=O)CN(CC(CC1CCOCC1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1
InChIInChI=1S/C25H33N3O4/c1-18-13-22(15-27(3)24(18)30)25(31)28(17-23(29)26-2)16-21(20-7-5-4-6-8-20)14-19-9-11-32-12-10-19/h4-8,13,15,19,21H,9-12,14,16-17H2,1-3H3,(H,26,29)
InChIKeyGHXPKEQUHXTVGQ-UHFFFAOYSA-N
XLogP2.48
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-N-[3-(oxan-4-yl)-2-phenylpropyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-N-[3-(oxan-4-yl)-2-phenylpropyl]-6-oxopyridine-3-carboxamide (CID 164609201) is 1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-N-[3-(oxan-4-yl)-2-phenylpropyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-N-[3-(oxan-4-yl)-2-phenylpropyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-N-[3-(oxan-4-yl)-2-phenylpropyl]-6-oxopyridine-3-carboxamide is CNC(=O)CN(CC(CC1CCOCC1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1.
What is the InChIKey of 1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-N-[3-(oxan-4-yl)-2-phenylpropyl]-6-oxopyridine-3-carboxamide?
The InChIKey is GHXPKEQUHXTVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-18-13-22(15-27(3)24(18)30)25(31)28(17-23(29)26-2)16-21(20-7-5-4-6-8-20)14-19-9-11-32-12-10-19/h4-8,13,15,19,21H,9-12,14,16-17H2,1-3H3,(H,26,29).
What are the key properties of 1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-N-[3-(oxan-4-yl)-2-phenylpropyl]-6-oxopyridine-3-carboxamide?
1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-N-[3-(oxan-4-yl)-2-phenylpropyl]-6-oxopyridine-3-carboxamide has a molecular weight of 439.56 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-N-[3-(oxan-4-yl)-2-phenylpropyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 164609201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).