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

C27H31N3O3 — CID 164611308

IUPACN-(2,2-diphenylethyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]-1,5-dimethyl-6-oxopyridine-3-carboxamide
SMILESCCNC(=O)C(C)N(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1
InChIInChI=1S/C27H31N3O3/c1-5-28-25(31)20(3)30(27(33)23-16-19(2)26(32)29(4)17-23)18-24(21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-17,20,24H,5,18H2,1-4H3,(H,28,31)
InChIKeyHSRWFUMUOFNGGB-UHFFFAOYSA-N
MW445.56 g/mol
LogP3.49
Rot. Bonds8

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

N-(2,2-diphenylethyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]-1,5-dimethyl-6-oxopyridine-3-carboxamide (PubChem CID 164611308) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]-1,5-dimethyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]-1,5-dimethyl-6-oxopyridine-3-carboxamide
PubChem CID164611308
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC NameN-(2,2-diphenylethyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]-1,5-dimethyl-6-oxopyridine-3-carboxamide
SMILESCCNC(=O)C(C)N(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1
InChIInChI=1S/C27H31N3O3/c1-5-28-25(31)20(3)30(27(33)23-16-19(2)26(32)29(4)17-23)18-24(21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-17,20,24H,5,18H2,1-4H3,(H,28,31)
InChIKeyHSRWFUMUOFNGGB-UHFFFAOYSA-N
XLogP3.49
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N-(2,2-diphenylethyl)-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 164620903
1,5-dimethyl-N-[2-(methylamino)-2-oxoethyl]-6-oxo-N-(2-phenyl-2-pyrazol-1-ylethyl)pyridine-3-carboxamide
CID 164618127
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
N-ethyl-2-[(3-methylphenyl)methyl-(2-phenylsulfanylacetyl)amino]propanamide
CID 132655662
2-[[2-(2,5-dimethylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-ethylpropanamide
CID 132654822
2-[[2-(2,5-dimethylphenyl)acetyl]-(2-phenylethyl)amino]-N-ethylpropanamide
CID 132654820
2-amino-N-ethyl-2-phenylacetamide
CID 22262703
N-ethyl-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 78952919
N-ethyl-2-[[2-(4-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 132653228
[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-[(S)-(4-methylphenyl)-phenylmethyl]azanium
CID 8640864
2-[(2-benzylsulfanylacetyl)-[(4-methylphenyl)methyl]amino]-N-ethylpropanamide
CID 132657985
N-ethyl-2-methyl-3-phenylpropanamide
CID 58846627

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]-1,5-dimethyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-(2,2-diphenylethyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]-1,5-dimethyl-6-oxopyridine-3-carboxamide (CID 164611308) is N-(2,2-diphenylethyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]-1,5-dimethyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(2,2-diphenylethyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]-1,5-dimethyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-(2,2-diphenylethyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]-1,5-dimethyl-6-oxopyridine-3-carboxamide is CCNC(=O)C(C)N(CC(c1ccccc1)c1ccccc1)C(=O)c1cc(C)c(=O)n(C)c1.
What is the InChIKey of N-(2,2-diphenylethyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]-1,5-dimethyl-6-oxopyridine-3-carboxamide?
The InChIKey is HSRWFUMUOFNGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3/c1-5-28-25(31)20(3)30(27(33)23-16-19(2)26(32)29(4)17-23)18-24(21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-17,20,24H,5,18H2,1-4H3,(H,28,31).
What are the key properties of N-(2,2-diphenylethyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]-1,5-dimethyl-6-oxopyridine-3-carboxamide?
N-(2,2-diphenylethyl)-N-[1-(ethylamino)-1-oxopropan-2-yl]-1,5-dimethyl-6-oxopyridine-3-carboxamide has a molecular weight of 445.56 g/mol, XLogP of 3.49, 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)-N-[1-(ethylamino)-1-oxopropan-2-yl]-1,5-dimethyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 164611308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).