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

C29H35N3O3 — CID 164620903

IUPACN-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N-(2,2-diphenylethyl)-1,5-dimethyl-6-oxopyridine-3-carboxamide
SMILESCNC(=O)C(N(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1)C(C)(C)C
InChIInChI=1S/C29H35N3O3/c1-20-17-23(18-31(6)27(20)34)28(35)32(25(26(33)30-5)29(2,3)4)19-24(21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-18,24-25H,19H2,1-6H3,(H,30,33)
InChIKeyCHFZHMWEBIEXJT-UHFFFAOYSA-N
MW473.62 g/mol
LogP4.13
Rot. Bonds7

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

N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N-(2,2-diphenylethyl)-1,5-dimethyl-6-oxopyridine-3-carboxamide (PubChem CID 164620903) has the molecular formula C29H35N3O3 and a molecular weight of 473.62 g/mol. Its IUPAC name is N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N-(2,2-diphenylethyl)-1,5-dimethyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N-(2,2-diphenylethyl)-1,5-dimethyl-6-oxopyridine-3-carboxamide
PubChem CID164620903
Molecular FormulaC29H35N3O3
Molecular Weight473.62 g/mol
Exact Mass473.27
IUPAC NameN-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N-(2,2-diphenylethyl)-1,5-dimethyl-6-oxopyridine-3-carboxamide
SMILESCNC(=O)C(N(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1)C(C)(C)C
InChIInChI=1S/C29H35N3O3/c1-20-17-23(18-31(6)27(20)34)28(35)32(25(26(33)30-5)29(2,3)4)19-24(21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-18,24-25H,19H2,1-6H3,(H,30,33)
InChIKeyCHFZHMWEBIEXJT-UHFFFAOYSA-N
XLogP4.13
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.62
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-diphenylethyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 164611308
1,5-dimethyl-N-[(1R)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]-6-oxo-N-[(2S)-2-phenyl-2-pyridin-2-ylethyl]pyridine-3-carboxamide
CID 156613426
1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxo-N-(2-phenyl-2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 164618127
N,1,5-trimethyl-6-oxopyridine-3-carboxamide
CID 156716692
N'-(3,4-dimethylphenyl)-1,5-dimethyl-6-oxopyridine-3-carbohydrazide
CID 137484320
5-benzhydryl-3-methyl-2-oxopyridine-1-carboxylic acid
CID 172775159
4-acetyl-1-methyl-N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]pyrrole-2-carboxamide
CID 94618189
5-methyl-6-oxo-1-phenylpyridine-3-carboxylic acid
CID 53436945
N-(2-amino-2-methylpropyl)-2,2-diphenylacetamide
CID 119628942
N-(2,2-diphenylethyl)-3-(2-methylphenyl)prop-2-ynamide
CID 68944805
3-[(2-chloro-2-phenylacetyl)amino]-N,2,2-trimethylpropanamide
CID 106275818
N-[1-(methylamino)-1-oxopropan-2-yl]-N-[(2-methylphenyl)methyl]-3,3-diphenylpropanamide
CID 132664613

Frequently Asked Questions

What is the IUPAC name of N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N-(2,2-diphenylethyl)-1,5-dimethyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N-(2,2-diphenylethyl)-1,5-dimethyl-6-oxopyridine-3-carboxamide (CID 164620903) is N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N-(2,2-diphenylethyl)-1,5-dimethyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N-(2,2-diphenylethyl)-1,5-dimethyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N-(2,2-diphenylethyl)-1,5-dimethyl-6-oxopyridine-3-carboxamide is CNC(=O)C(N(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1)C(C)(C)C.
What is the InChIKey of N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N-(2,2-diphenylethyl)-1,5-dimethyl-6-oxopyridine-3-carboxamide?
The InChIKey is CHFZHMWEBIEXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O3/c1-20-17-23(18-31(6)27(20)34)28(35)32(25(26(33)30-5)29(2,3)4)19-24(21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-18,24-25H,19H2,1-6H3,(H,30,33).
What are the key properties of N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N-(2,2-diphenylethyl)-1,5-dimethyl-6-oxopyridine-3-carboxamide?
N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N-(2,2-diphenylethyl)-1,5-dimethyl-6-oxopyridine-3-carboxamide has a molecular weight of 473.62 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N-(2,2-diphenylethyl)-1,5-dimethyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 164620903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).