1-[1-(4-methoxyphenyl)-4-pyridin-2-yl-2,3-dihydropyrazin-5-yl]propan-1-one

C19H21N3O2 — CID 134932730

IUPAC1-[1-(4-methoxyphenyl)-4-pyridin-2-yl-2,3-dihydropyrazin-5-yl]propan-1-one
SMILESCCC(=O)C1=CN(c2ccc(OC)cc2)CCN1c1ccccn1
InChIInChI=1S/C19H21N3O2/c1-3-18(23)17-14-21(15-7-9-16(24-2)10-8-15)12-13-22(17)19-6-4-5-11-20-19/h4-11,14H,3,12-13H2,1-2H3
InChIKeyATVPNPSQPIXHCA-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.24
Rot. Bonds5

About 1-[1-(4-methoxyphenyl)-4-pyridin-2-yl-2,3-dihydropyrazin-5-yl]propan-1-one

1-[1-(4-methoxyphenyl)-4-pyridin-2-yl-2,3-dihydropyrazin-5-yl]propan-1-one (PubChem CID 134932730) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)-4-pyridin-2-yl-2,3-dihydropyrazin-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)-4-pyridin-2-yl-2,3-dihydropyrazin-5-yl]propan-1-one
PubChem CID134932730
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-[1-(4-methoxyphenyl)-4-pyridin-2-yl-2,3-dihydropyrazin-5-yl]propan-1-one
SMILESCCC(=O)C1=CN(c2ccc(OC)cc2)CCN1c1ccccn1
InChIInChI=1S/C19H21N3O2/c1-3-18(23)17-14-21(15-7-9-16(24-2)10-8-15)12-13-22(17)19-6-4-5-11-20-19/h4-11,14H,3,12-13H2,1-2H3
InChIKeyATVPNPSQPIXHCA-UHFFFAOYSA-N
XLogP3.24
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-pyridin-2-yl-3,4-dihydro-2H-pyridin-6-yl)propan-1-one
CID 10560680
5-methoxy-1-(4-methoxyphenyl)-4-propanoyl-2,3-dihydropyridin-6-one
CID 10732167
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 40661404
N-(4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 17455607
1-ethyl-3-(4-methoxyphenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110556321
2-(4-methoxyphenyl)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 110436668
2-(4-ethoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 52892178
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylsulfanylethanone
CID 7753218
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 110389220
1-(4-ethoxyphenyl)-4-methylpiperazine-2,3-dione
CID 117026421
2-[2-(4-methoxyphenyl)sulfanyl-5-methylpyrrol-1-yl]pyridine
CID 171481612
3-(4-methoxyphenyl)-1-propyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrole-2,5-dione
CID 110556282

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)-4-pyridin-2-yl-2,3-dihydropyrazin-5-yl]propan-1-one?
The IUPAC name of 1-[1-(4-methoxyphenyl)-4-pyridin-2-yl-2,3-dihydropyrazin-5-yl]propan-1-one (CID 134932730) is 1-[1-(4-methoxyphenyl)-4-pyridin-2-yl-2,3-dihydropyrazin-5-yl]propan-1-one.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)-4-pyridin-2-yl-2,3-dihydropyrazin-5-yl]propan-1-one?
The canonical SMILES for 1-[1-(4-methoxyphenyl)-4-pyridin-2-yl-2,3-dihydropyrazin-5-yl]propan-1-one is CCC(=O)C1=CN(c2ccc(OC)cc2)CCN1c1ccccn1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)-4-pyridin-2-yl-2,3-dihydropyrazin-5-yl]propan-1-one?
The InChIKey is ATVPNPSQPIXHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-3-18(23)17-14-21(15-7-9-16(24-2)10-8-15)12-13-22(17)19-6-4-5-11-20-19/h4-11,14H,3,12-13H2,1-2H3.
What are the key properties of 1-[1-(4-methoxyphenyl)-4-pyridin-2-yl-2,3-dihydropyrazin-5-yl]propan-1-one?
1-[1-(4-methoxyphenyl)-4-pyridin-2-yl-2,3-dihydropyrazin-5-yl]propan-1-one has a molecular weight of 323.40 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)-4-pyridin-2-yl-2,3-dihydropyrazin-5-yl]propan-1-one is sourced from PubChem (CID 134932730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).