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

C14H15N3O3 — CID 110876478

IUPACN-(furan-2-ylmethyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCN1C(=O)c2cccn2CC1C(=O)NCc1ccco1
InChIInChI=1S/C14H15N3O3/c1-16-12(9-17-6-2-5-11(17)14(16)19)13(18)15-8-10-4-3-7-20-10/h2-7,12H,8-9H2,1H3,(H,15,18)
InChIKeyXPPMPCGTSWHYSF-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.85
Rot. Bonds3

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

N-(furan-2-ylmethyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 110876478) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID110876478
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-(furan-2-ylmethyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCN1C(=O)c2cccn2CC1C(=O)NCc1ccco1
InChIInChI=1S/C14H15N3O3/c1-16-12(9-17-6-2-5-11(17)14(16)19)13(18)15-8-10-4-3-7-20-10/h2-7,12H,8-9H2,1H3,(H,15,18)
InChIKeyXPPMPCGTSWHYSF-UHFFFAOYSA-N
XLogP0.85
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(furan-2-ylmethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 94045963
(3R,9bR)-N-(furan-2-ylmethyl)-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 7174917
(3R)-N-(furan-2-ylmethyl)-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide
CID 665466
(2R,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739590
N-(furan-2-ylmethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 56730502
2-[bis(dimethylamino)methylideneamino]-N-(furan-2-ylmethyl)acetamide
CID 111035912
(3R)-N-(furan-2-ylmethyl)-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 97465205
1-N,2-N-bis(furan-2-ylmethyl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 5237325
N-(furan-2-ylmethyl)-1-(2-hydroxybutyl)pyrrolidine-2-carboxamide
CID 111123272
(7R)-N-(furan-2-ylmethyl)-5-oxo-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135881351
2-[bis(dimethylamino)methylideneamino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111035911
(2R,3S)-2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 97457705

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide (CID 110876478) is N-(furan-2-ylmethyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide is CN1C(=O)c2cccn2CC1C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is XPPMPCGTSWHYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-16-12(9-17-6-2-5-11(17)14(16)19)13(18)15-8-10-4-3-7-20-10/h2-7,12H,8-9H2,1H3,(H,15,18).
What are the key properties of N-(furan-2-ylmethyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide?
N-(furan-2-ylmethyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-methyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 110876478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).