1-(3-methoxybenzoyl)-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide

C18H20N4O3 — CID 127245714

IUPAC1-(3-methoxybenzoyl)-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1(c2cnccn2)CCCN1C(=O)c1cccc(OC)c1
InChIInChI=1S/C18H20N4O3/c1-19-17(24)18(15-12-20-8-9-21-15)7-4-10-22(18)16(23)13-5-3-6-14(11-13)25-2/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,19,24)
InChIKeyXSMFRGHAOOAEKQ-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.36
Rot. Bonds4

About 1-(3-methoxybenzoyl)-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide

1-(3-methoxybenzoyl)-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide (PubChem CID 127245714) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-(3-methoxybenzoyl)-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-methoxybenzoyl)-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide
PubChem CID127245714
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name1-(3-methoxybenzoyl)-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1(c2cnccn2)CCCN1C(=O)c1cccc(OC)c1
InChIInChI=1S/C18H20N4O3/c1-19-17(24)18(15-12-20-8-9-21-15)7-4-10-22(18)16(23)13-5-3-6-14(11-13)25-2/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,19,24)
InChIKeyXSMFRGHAOOAEKQ-UHFFFAOYSA-N
XLogP1.36
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-pyrazin-2-yl-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide
CID 118740311
(2S)-N-methyl-2-pyrazin-2-yl-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide
CID 125006023
1-(3-fluorobenzoyl)-N,N-dimethyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 127245716
N-methyl-2-pyrazin-2-yl-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carboxamide
CID 127245834
(2R)-1-ethyl-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124991793
N-methyl-1-(2-morpholin-4-ylacetyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 127245738
(2S)-N-methyl-1-[(6-methyl-2-pyridinyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 125012324
(2R)-1-[(2,3-difluorophenyl)methyl]-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124970789
(4-hydroxy-1-azaspiro[4.4]nonan-1-yl)-(3-methoxyphenyl)methanone
CID 122135977
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
1-[(4-methoxyphenyl)methyl]-N,N-dimethyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 127245773
1-[(2S)-2-pyrazin-2-yl-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 125009234

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxybenzoyl)-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(3-methoxybenzoyl)-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide (CID 127245714) is 1-(3-methoxybenzoyl)-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3-methoxybenzoyl)-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3-methoxybenzoyl)-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide is CNC(=O)C1(c2cnccn2)CCCN1C(=O)c1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxybenzoyl)-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is XSMFRGHAOOAEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-19-17(24)18(15-12-20-8-9-21-15)7-4-10-22(18)16(23)13-5-3-6-14(11-13)25-2/h3,5-6,8-9,11-12H,4,7,10H2,1-2H3,(H,19,24).
What are the key properties of 1-(3-methoxybenzoyl)-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
1-(3-methoxybenzoyl)-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxybenzoyl)-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 127245714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).