(4-methoxy-3-methylphenyl)-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]methanone

C18H19N3O3 — CID 110661749

IUPAC(4-methoxy-3-methylphenyl)-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]methanone
SMILESCOc1ccc(C(=O)C2CCCN2C(=O)c2cnccn2)cc1C
InChIInChI=1S/C18H19N3O3/c1-12-10-13(5-6-16(12)24-2)17(22)15-4-3-9-21(15)18(23)14-11-19-7-8-20-14/h5-8,10-11,15H,3-4,9H2,1-2H3
InChIKeyLKBDXJPFEQZDNT-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.28
Rot. Bonds4

About (4-methoxy-3-methylphenyl)-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]methanone

(4-methoxy-3-methylphenyl)-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]methanone (PubChem CID 110661749) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is (4-methoxy-3-methylphenyl)-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(4-methoxy-3-methylphenyl)-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]methanone
PubChem CID110661749
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name(4-methoxy-3-methylphenyl)-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]methanone
SMILESCOc1ccc(C(=O)C2CCCN2C(=O)c2cnccn2)cc1C
InChIInChI=1S/C18H19N3O3/c1-12-10-13(5-6-16(12)24-2)17(22)15-4-3-9-21(15)18(23)14-11-19-7-8-20-14/h5-8,10-11,15H,3-4,9H2,1-2H3
InChIKeyLKBDXJPFEQZDNT-UHFFFAOYSA-N
XLogP2.28
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-(4-methoxy-3-methylbenzoyl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 110661755
N-tert-butyl-2-(4-methoxy-3-methylbenzoyl)pyrrolidine-1-carboxamide
CID 110661764
1-[2-(4-methoxy-3-methylbenzoyl)pyrrolidin-1-yl]-3-phenoxypropan-1-one
CID 110410975
(4-methoxy-3-methylphenyl)-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]methanone
CID 110607720
1-(4-fluorophenyl)-4-[2-(4-methoxy-3-methylbenzoyl)pyrrolidin-1-yl]butane-1,4-dione
CID 110410411
methyl (2R)-1-(pyrazine-2-carbonyl)piperidine-2-carboxylate
CID 79833939
1-(2-fluorophenyl)-4-[2-(4-methoxy-3-methylbenzoyl)pyrrolidin-1-yl]butane-1,4-dione
CID 110607731
methyl 4-[2-(3,4-dimethylbenzoyl)pyrrolidin-1-yl]-4-oxobutanoate
CID 110661731
pyrazin-2-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24631463
[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 129461529
(4-methoxy-3-methylphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 110802881
[(2S)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 95057584

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-methylphenyl)-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]methanone?
The IUPAC name of (4-methoxy-3-methylphenyl)-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]methanone (CID 110661749) is (4-methoxy-3-methylphenyl)-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]methanone.
What is the SMILES notation for (4-methoxy-3-methylphenyl)-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]methanone?
The canonical SMILES for (4-methoxy-3-methylphenyl)-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]methanone is COc1ccc(C(=O)C2CCCN2C(=O)c2cnccn2)cc1C.
What is the InChIKey of (4-methoxy-3-methylphenyl)-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]methanone?
The InChIKey is LKBDXJPFEQZDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12-10-13(5-6-16(12)24-2)17(22)15-4-3-9-21(15)18(23)14-11-19-7-8-20-14/h5-8,10-11,15H,3-4,9H2,1-2H3.
What are the key properties of (4-methoxy-3-methylphenyl)-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]methanone?
(4-methoxy-3-methylphenyl)-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]methanone has a molecular weight of 325.37 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-methylphenyl)-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]methanone is sourced from PubChem (CID 110661749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).