1-benzyl-4-(dimethylamino)-3-methoxy-2,5-diphenyl-2,3-dihydropyridin-6-one

C27H28N2O2 — CID 10573734

IUPAC1-benzyl-4-(dimethylamino)-3-methoxy-2,5-diphenyl-2,3-dihydropyridin-6-one
SMILESCOC1C(N(C)C)=C(c2ccccc2)C(=O)N(Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C27H28N2O2/c1-28(2)25-23(21-15-9-5-10-16-21)27(30)29(19-20-13-7-4-8-14-20)24(26(25)31-3)22-17-11-6-12-18-22/h4-18,24,26H,19H2,1-3H3
InChIKeyNRWNGDMFPKWBTI-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.76
Rot. Bonds6

About 1-benzyl-4-(dimethylamino)-3-methoxy-2,5-diphenyl-2,3-dihydropyridin-6-one

1-benzyl-4-(dimethylamino)-3-methoxy-2,5-diphenyl-2,3-dihydropyridin-6-one (PubChem CID 10573734) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is 1-benzyl-4-(dimethylamino)-3-methoxy-2,5-diphenyl-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-benzyl-4-(dimethylamino)-3-methoxy-2,5-diphenyl-2,3-dihydropyridin-6-one
PubChem CID10573734
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC Name1-benzyl-4-(dimethylamino)-3-methoxy-2,5-diphenyl-2,3-dihydropyridin-6-one
SMILESCOC1C(N(C)C)=C(c2ccccc2)C(=O)N(Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C27H28N2O2/c1-28(2)25-23(21-15-9-5-10-16-21)27(30)29(19-20-13-7-4-8-14-20)24(26(25)31-3)22-17-11-6-12-18-22/h4-18,24,26H,19H2,1-3H3
InChIKeyNRWNGDMFPKWBTI-UHFFFAOYSA-N
XLogP4.76
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-1-benzyl-3-(N-methylanilino)-4-phenylazetidin-2-one
CID 134919617
(2R,3R)-1-benzyl-3-methoxy-4-oxoazetidine-2-carbaldehyde
CID 102475889
methyl (3R,4S)-1-benzyl-2-oxo-4-phenylazetidine-3-carboxylate
CID 10469773
(2S)-1-benzyl-2-methoxy-3,4-dimethyl-2H-pyrrol-5-one
CID 26885866
(3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one
CID 40999549
(5S,6S)-1-[(4-methoxyphenyl)methyl]-6-phenyl-5-phenylmethoxypiperidin-2-one
CID 102479873
(4S)-1,3-dibenzyl-4-phenylazetidin-2-one
CID 58632784
methyl 5-oxo-3,4-diphenyl-1-[[4-(trifluoromethyl)phenyl]methyl]-2H-pyrrole-2-carboxylate
CID 166447882
(4R)-1,3-dibenzyl-4,5-diphenyl-1,3,2-diazaphospholidin-2-ium 2-oxide
CID 138962724
(4S,5S)-1,3-dibenzyl-4,5-diphenylimidazolidine-2-thione
CID 24767043
methyl 3-(1-benzyl-2-oxo-4-phenylazetidin-3-yl)propanoate
CID 23572772
(4S,5S)-3-benzyl-4-phenyl-5-[(Z)-prop-1-enyl]-1,3-oxazolidin-2-one
CID 6871923

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(dimethylamino)-3-methoxy-2,5-diphenyl-2,3-dihydropyridin-6-one?
The IUPAC name of 1-benzyl-4-(dimethylamino)-3-methoxy-2,5-diphenyl-2,3-dihydropyridin-6-one (CID 10573734) is 1-benzyl-4-(dimethylamino)-3-methoxy-2,5-diphenyl-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-benzyl-4-(dimethylamino)-3-methoxy-2,5-diphenyl-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-benzyl-4-(dimethylamino)-3-methoxy-2,5-diphenyl-2,3-dihydropyridin-6-one is COC1C(N(C)C)=C(c2ccccc2)C(=O)N(Cc2ccccc2)C1c1ccccc1.
What is the InChIKey of 1-benzyl-4-(dimethylamino)-3-methoxy-2,5-diphenyl-2,3-dihydropyridin-6-one?
The InChIKey is NRWNGDMFPKWBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c1-28(2)25-23(21-15-9-5-10-16-21)27(30)29(19-20-13-7-4-8-14-20)24(26(25)31-3)22-17-11-6-12-18-22/h4-18,24,26H,19H2,1-3H3.
What are the key properties of 1-benzyl-4-(dimethylamino)-3-methoxy-2,5-diphenyl-2,3-dihydropyridin-6-one?
1-benzyl-4-(dimethylamino)-3-methoxy-2,5-diphenyl-2,3-dihydropyridin-6-one has a molecular weight of 412.53 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(dimethylamino)-3-methoxy-2,5-diphenyl-2,3-dihydropyridin-6-one is sourced from PubChem (CID 10573734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).