(5-benzoyl-2,6-dimethyl-1,4-dihydropyridin-3-yl)-phenylmethanone

C21H19NO2 — CID 827956

IUPAC(5-benzoyl-2,6-dimethyl-1,4-dihydropyridin-3-yl)-phenylmethanone
SMILESCC1=C(C(=O)c2ccccc2)CC(C(=O)c2ccccc2)=C(C)N1
InChIInChI=1S/C21H19NO2/c1-14-18(20(23)16-9-5-3-6-10-16)13-19(15(2)22-14)21(24)17-11-7-4-8-12-17/h3-12,22H,13H2,1-2H3
InChIKeyXOXDXSCLGAGLPN-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.29
Rot. Bonds4

About (5-benzoyl-2,6-dimethyl-1,4-dihydropyridin-3-yl)-phenylmethanone

(5-benzoyl-2,6-dimethyl-1,4-dihydropyridin-3-yl)-phenylmethanone (PubChem CID 827956) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is (5-benzoyl-2,6-dimethyl-1,4-dihydropyridin-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-benzoyl-2,6-dimethyl-1,4-dihydropyridin-3-yl)-phenylmethanone
PubChem CID827956
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name(5-benzoyl-2,6-dimethyl-1,4-dihydropyridin-3-yl)-phenylmethanone
SMILESCC1=C(C(=O)c2ccccc2)CC(C(=O)c2ccccc2)=C(C)N1
InChIInChI=1S/C21H19NO2/c1-14-18(20(23)16-9-5-3-6-10-16)13-19(15(2)22-14)21(24)17-11-7-4-8-12-17/h3-12,22H,13H2,1-2H3
InChIKeyXOXDXSCLGAGLPN-UHFFFAOYSA-N
XLogP4.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-Lutidine, 3,5-diacetyl-1,4-dihydro-4-phenyl-
CID 88738
3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-styryl]benzoyl]-1H-pyridin-2-one
CID 6480032
3-(3-Benzoyl-5-ethyl-phenyl)-acrylamide
CID 44366749
3-(4-benzoylphenyl)-5-bromo-2,6-dimethyl-1H-pyridin-4-one
CID 44531214
3-Butanoyl-2,7,7-trimethyl-4-(4-phenylphenyl)-1,4,6,8-tetrahydroquinolin-5-one
CID 118731798
5H-Indeno[1,2-b]pyridin-5-one, 3-acetyl-1,4-dihydro-2-methyl-4-phenyl-
CID 2817301
Crotonophenone, 3-amino-
CID 5524548
9-Phenyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 796695
2,6-Dimethyl-3-phenyl-4(1H)-pyridinone
CID 14950490
3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-3-phenylprop-1-enyl]benzoyl]-1H-pyridin-2-one
CID 6480030
3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(Z)-styryl]benzoyl]-1H-pyridin-2-one
CID 6480031
3-[(2-Methyl-1-phenylpropan-2-yl)amino]-4-phenylcyclobut-3-ene-1,2-dione
CID 44399936

Frequently Asked Questions

What is the IUPAC name of (5-benzoyl-2,6-dimethyl-1,4-dihydropyridin-3-yl)-phenylmethanone?
The IUPAC name of (5-benzoyl-2,6-dimethyl-1,4-dihydropyridin-3-yl)-phenylmethanone (CID 827956) is (5-benzoyl-2,6-dimethyl-1,4-dihydropyridin-3-yl)-phenylmethanone.
What is the SMILES notation for (5-benzoyl-2,6-dimethyl-1,4-dihydropyridin-3-yl)-phenylmethanone?
The canonical SMILES for (5-benzoyl-2,6-dimethyl-1,4-dihydropyridin-3-yl)-phenylmethanone is CC1=C(C(=O)c2ccccc2)CC(C(=O)c2ccccc2)=C(C)N1.
What is the InChIKey of (5-benzoyl-2,6-dimethyl-1,4-dihydropyridin-3-yl)-phenylmethanone?
The InChIKey is XOXDXSCLGAGLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c1-14-18(20(23)16-9-5-3-6-10-16)13-19(15(2)22-14)21(24)17-11-7-4-8-12-17/h3-12,22H,13H2,1-2H3.
What are the key properties of (5-benzoyl-2,6-dimethyl-1,4-dihydropyridin-3-yl)-phenylmethanone?
(5-benzoyl-2,6-dimethyl-1,4-dihydropyridin-3-yl)-phenylmethanone has a molecular weight of 317.39 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzoyl-2,6-dimethyl-1,4-dihydropyridin-3-yl)-phenylmethanone is sourced from PubChem (CID 827956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).