2-(2-methylpropyl)-1-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide

C18H22N4O2 — CID 91919725

IUPAC2-(2-methylpropyl)-1-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCC(C)CN1C(=O)c2cccn2CC1C(=O)NCc1cccnc1
InChIInChI=1S/C18H22N4O2/c1-13(2)11-22-16(12-21-8-4-6-15(21)18(22)24)17(23)20-10-14-5-3-7-19-9-14/h3-9,13,16H,10-12H2,1-2H3,(H,20,23)
InChIKeyNALNYSLZOMAKMR-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.68
Rot. Bonds5

About 2-(2-methylpropyl)-1-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide

2-(2-methylpropyl)-1-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 91919725) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name2-(2-methylpropyl)-1-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID91919725
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-(2-methylpropyl)-1-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCC(C)CN1C(=O)c2cccn2CC1C(=O)NCc1cccnc1
InChIInChI=1S/C18H22N4O2/c1-13(2)11-22-16(12-21-8-4-6-15(21)18(22)24)17(23)20-10-14-5-3-7-19-9-14/h3-9,13,16H,10-12H2,1-2H3,(H,20,23)
InChIKeyNALNYSLZOMAKMR-UHFFFAOYSA-N
XLogP1.68
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-1-oxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
CID 91909217
N-(1-benzylpiperidin-4-yl)-1-oxo-2-(pyridin-3-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
CID 91919776
1'-(2-methylpropyl)-2'-oxo-N-(pyridin-3-ylmethyl)spiro[cyclopropane-2,3'-indole]-1-carboxamide
CID 131648614
2-methyl-N-(pyridin-3-ylmethyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155850746
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
(3R,4R)-4-amino-1-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 89470272
3-(4-fluorobenzoyl)-2-(2-methylpropyl)-N-(pyridin-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 42745368
4-[[(1S)-2-(2-methylpropyl)-3-oxo-1H-isoindol-1-yl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 1196254
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
2-propan-2-yl-3-(pyridin-3-ylmethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780340
(2S,4S)-N-[2-(2-fluorophenyl)ethyl]-1-(2-methylpropyl)-4-(pyridin-3-ylmethylamino)pyrrolidine-2-carboxamide
CID 45238243

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of 2-(2-methylpropyl)-1-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide (CID 91919725) is 2-(2-methylpropyl)-1-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for 2-(2-methylpropyl)-1-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for 2-(2-methylpropyl)-1-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide is CC(C)CN1C(=O)c2cccn2CC1C(=O)NCc1cccnc1.
What is the InChIKey of 2-(2-methylpropyl)-1-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is NALNYSLZOMAKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13(2)11-22-16(12-21-8-4-6-15(21)18(22)24)17(23)20-10-14-5-3-7-19-9-14/h3-9,13,16H,10-12H2,1-2H3,(H,20,23).
What are the key properties of 2-(2-methylpropyl)-1-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide?
2-(2-methylpropyl)-1-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1-oxo-N-(pyridin-3-ylmethyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 91919725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).