(1-benzyl-2-oxo-3,5-diphenyl-4-pyridinyl) N,N-dimethylcarbamate

C27H24N2O3 — CID 2825290

IUPAC(1-benzyl-2-oxo-3,5-diphenyl-4-pyridinyl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1c(-c2ccccc2)cn(Cc2ccccc2)c(=O)c1-c1ccccc1
InChIInChI=1S/C27H24N2O3/c1-28(2)27(31)32-25-23(21-14-8-4-9-15-21)19-29(18-20-12-6-3-7-13-20)26(30)24(25)22-16-10-5-11-17-22/h3-17,19H,18H2,1-2H3
InChIKeyZHPZLTLPKALWBG-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.29
Rot. Bonds5

About (1-benzyl-2-oxo-3,5-diphenyl-4-pyridinyl) N,N-dimethylcarbamate

(1-benzyl-2-oxo-3,5-diphenyl-4-pyridinyl) N,N-dimethylcarbamate (PubChem CID 2825290) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is (1-benzyl-2-oxo-3,5-diphenyl-4-pyridinyl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(1-benzyl-2-oxo-3,5-diphenyl-4-pyridinyl) N,N-dimethylcarbamate
PubChem CID2825290
Molecular FormulaC27H24N2O3
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC Name(1-benzyl-2-oxo-3,5-diphenyl-4-pyridinyl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1c(-c2ccccc2)cn(Cc2ccccc2)c(=O)c1-c1ccccc1
InChIInChI=1S/C27H24N2O3/c1-28(2)27(31)32-25-23(21-14-8-4-9-15-21)19-29(18-20-12-6-3-7-13-20)26(30)24(25)22-16-10-5-11-17-22/h3-17,19H,18H2,1-2H3
InChIKeyZHPZLTLPKALWBG-UHFFFAOYSA-N
XLogP5.29
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Benzyl-3-phenyl-4-phenylmethoxypyridin-2-one
CID 71469447
benzyl (2R)-2-benzyl-3-oxo-4-(1-phenylethyl)-2H-pyrazine-1-carboxylate
CID 68810312
1,3-Dibenzyl-4-(3-phenylmethoxypropyl)pyridin-2-one
CID 11091158
(6RS,7RS)-7-Methyl-3,4,6-triphenyl-5-oxa-1-azabicyclo[4.1.0]hept-3-en-2-one
CID 56838158
3-benzyl-2,5-diphenyl-2H-1,3-oxazin-4-one
CID 134835233
ethyl 1-benzoyl-4-benzyl-2H-pyridine-5-carboxylate
CID 134881187
5-[[Benzyl(methyl)amino]methyl]-3,6-diphenylpyran-2-one
CID 164678396
O,N-Dibenzoyl-6-hexenelactim
CID 570043
1,3-Dibenzyl-4-(phenylmethoxymethyl)pyridin-2-one
CID 11058356
[1-[Bis(4-methylbenzoyl)amino]-2-phenylethyl] prop-2-enoate
CID 22374557
1-Benzyl-4-butoxy-3-phenylpyridin-2-one
CID 68322554
4-Methoxy-1-methyl-3,5-bis(4-methylphenyl)pyridin-2(1h)-one
CID 69386943

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-2-oxo-3,5-diphenyl-4-pyridinyl) N,N-dimethylcarbamate?
The IUPAC name of (1-benzyl-2-oxo-3,5-diphenyl-4-pyridinyl) N,N-dimethylcarbamate (CID 2825290) is (1-benzyl-2-oxo-3,5-diphenyl-4-pyridinyl) N,N-dimethylcarbamate.
What is the SMILES notation for (1-benzyl-2-oxo-3,5-diphenyl-4-pyridinyl) N,N-dimethylcarbamate?
The canonical SMILES for (1-benzyl-2-oxo-3,5-diphenyl-4-pyridinyl) N,N-dimethylcarbamate is CN(C)C(=O)Oc1c(-c2ccccc2)cn(Cc2ccccc2)c(=O)c1-c1ccccc1.
What is the InChIKey of (1-benzyl-2-oxo-3,5-diphenyl-4-pyridinyl) N,N-dimethylcarbamate?
The InChIKey is ZHPZLTLPKALWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3/c1-28(2)27(31)32-25-23(21-14-8-4-9-15-21)19-29(18-20-12-6-3-7-13-20)26(30)24(25)22-16-10-5-11-17-22/h3-17,19H,18H2,1-2H3.
What are the key properties of (1-benzyl-2-oxo-3,5-diphenyl-4-pyridinyl) N,N-dimethylcarbamate?
(1-benzyl-2-oxo-3,5-diphenyl-4-pyridinyl) N,N-dimethylcarbamate has a molecular weight of 424.50 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-2-oxo-3,5-diphenyl-4-pyridinyl) N,N-dimethylcarbamate is sourced from PubChem (CID 2825290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).