N-(2,2-diphenylethyl)-1,5-dimethyl-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]-6-oxopyridine-3-carboxamide

C28H33N3O3 — CID 164608892

IUPACN-(2,2-diphenylethyl)-1,5-dimethyl-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]-6-oxopyridine-3-carboxamide
SMILESCNC(=O)C(C(C)C)N(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1
InChIInChI=1S/C28H33N3O3/c1-19(2)25(26(32)29-4)31(28(34)23-16-20(3)27(33)30(5)17-23)18-24(21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-17,19,24-25H,18H2,1-5H3,(H,29,32)
InChIKeyCZLSPRIGWNSRGM-UHFFFAOYSA-N
MW459.59 g/mol
LogP3.74
Rot. Bonds8

About N-(2,2-diphenylethyl)-1,5-dimethyl-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]-6-oxopyridine-3-carboxamide

N-(2,2-diphenylethyl)-1,5-dimethyl-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]-6-oxopyridine-3-carboxamide (PubChem CID 164608892) has the molecular formula C28H33N3O3 and a molecular weight of 459.59 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-1,5-dimethyl-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-1,5-dimethyl-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]-6-oxopyridine-3-carboxamide
PubChem CID164608892
Molecular FormulaC28H33N3O3
Molecular Weight459.59 g/mol
Exact Mass459.25
IUPAC NameN-(2,2-diphenylethyl)-1,5-dimethyl-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]-6-oxopyridine-3-carboxamide
SMILESCNC(=O)C(C(C)C)N(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1
InChIInChI=1S/C28H33N3O3/c1-19(2)25(26(32)29-4)31(28(34)23-16-20(3)27(33)30(5)17-23)18-24(21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-17,19,24-25H,18H2,1-5H3,(H,29,32)
InChIKeyCZLSPRIGWNSRGM-UHFFFAOYSA-N
XLogP3.74
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,2-diphenylethyl)-1,5-dimethyl-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]-6-oxopyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-1,5-dimethyl-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]-6-oxopyridine-3-carboxamide?
The IUPAC name of N-(2,2-diphenylethyl)-1,5-dimethyl-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]-6-oxopyridine-3-carboxamide (CID 164608892) is N-(2,2-diphenylethyl)-1,5-dimethyl-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(2,2-diphenylethyl)-1,5-dimethyl-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-(2,2-diphenylethyl)-1,5-dimethyl-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]-6-oxopyridine-3-carboxamide is CNC(=O)C(C(C)C)N(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1.
What is the InChIKey of N-(2,2-diphenylethyl)-1,5-dimethyl-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]-6-oxopyridine-3-carboxamide?
The InChIKey is CZLSPRIGWNSRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O3/c1-19(2)25(26(32)29-4)31(28(34)23-16-20(3)27(33)30(5)17-23)18-24(21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-17,19,24-25H,18H2,1-5H3,(H,29,32).
What are the key properties of N-(2,2-diphenylethyl)-1,5-dimethyl-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]-6-oxopyridine-3-carboxamide?
N-(2,2-diphenylethyl)-1,5-dimethyl-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]-6-oxopyridine-3-carboxamide has a molecular weight of 459.59 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-1,5-dimethyl-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 164608892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).