4-oxo-2-pyridin-4-yl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrimidine-1-carboxamide

C13H14N4O2 — CID 173130190

IUPAC4-oxo-2-pyridin-4-yl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrimidine-1-carboxamide
SMILESNC(=O)N1C(c2ccncc2)=CC(=O)N2CCCC21
InChIInChI=1S/C13H14N4O2/c14-13(19)17-10(9-3-5-15-6-4-9)8-12(18)16-7-1-2-11(16)17/h3-6,8,11H,1-2,7H2,(H2,14,19)
InChIKeyIRUCUUMUKPAPED-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.77
Rot. Bonds1

About 4-oxo-2-pyridin-4-yl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrimidine-1-carboxamide

4-oxo-2-pyridin-4-yl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrimidine-1-carboxamide (PubChem CID 173130190) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-oxo-2-pyridin-4-yl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrimidine-1-carboxamide.

Molecular Properties

Compound Name4-oxo-2-pyridin-4-yl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrimidine-1-carboxamide
PubChem CID173130190
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name4-oxo-2-pyridin-4-yl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrimidine-1-carboxamide
SMILESNC(=O)N1C(c2ccncc2)=CC(=O)N2CCCC21
InChIInChI=1S/C13H14N4O2/c14-13(19)17-10(9-3-5-15-6-4-9)8-12(18)16-7-1-2-11(16)17/h3-6,8,11H,1-2,7H2,(H2,14,19)
InChIKeyIRUCUUMUKPAPED-UHFFFAOYSA-N
XLogP0.77
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-oxo-2-pyridin-4-yl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrimidine-1-carboxamide with MolForge

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Related Compounds

(1-carbamoyl-4-oxo-2-pyridin-4-yl-6,7,8,9,10,10a-hexahydropyrimido[1,2-a]azepin-10-yl) 3-phenylcinnoline-4-carboxylate
CID 91609190
1-(4-pyridin-4-ylphenyl)-3-(trifluoromethyl)piperidine-2-carboxamide
CID 175295924
(2R)-1-(5-chloro-6-oxo-2-pyridin-4-yl-1H-pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 137291643
(2S)-1-(1-ethyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)pyrrolidine-2-carboxamide
CID 70313400
5-(2-methylpyrrolidin-1-yl)-4-pyridin-4-yl-1,2-thiazol-3-amine
CID 103361974
(1S,7S)-7-methyl-5-pyridin-4-yl-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-2,4-dien-8-one
CID 163313332
2-(4-pyridin-4-yl-1,3-thiazol-2-yl)pyrrolidine-1-carboxylic acid
CID 67479701
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl(pyridin-4-yl)methanone
CID 42892856
[2-(aminomethyl)pyrrolidin-1-yl]-(2-pyridin-4-yl-1,3-thiazol-5-yl)methanone
CID 119631252
1-(2-carbamoyl-4-pyridinyl)pyrrolidine-2-carboxylic acid
CID 43517516
(3S)-3-[2-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]piperidine-1-carboxamide
CID 97281709
(1-carbamoyl-10-methyl-4-oxo-2-pyrimidin-4-yl-7,8,9,10a-tetrahydro-6H-pyrimido[1,2-a]azepin-10-yl) 5-bromo-2,3-dihydro-1-benzofuran-7-carboxylate
CID 91523562

Frequently Asked Questions

What is the IUPAC name of 4-oxo-2-pyridin-4-yl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrimidine-1-carboxamide?
The IUPAC name of 4-oxo-2-pyridin-4-yl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrimidine-1-carboxamide (CID 173130190) is 4-oxo-2-pyridin-4-yl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrimidine-1-carboxamide.
What is the SMILES notation for 4-oxo-2-pyridin-4-yl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrimidine-1-carboxamide?
The canonical SMILES for 4-oxo-2-pyridin-4-yl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrimidine-1-carboxamide is NC(=O)N1C(c2ccncc2)=CC(=O)N2CCCC21.
What is the InChIKey of 4-oxo-2-pyridin-4-yl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrimidine-1-carboxamide?
The InChIKey is IRUCUUMUKPAPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c14-13(19)17-10(9-3-5-15-6-4-9)8-12(18)16-7-1-2-11(16)17/h3-6,8,11H,1-2,7H2,(H2,14,19).
What are the key properties of 4-oxo-2-pyridin-4-yl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrimidine-1-carboxamide?
4-oxo-2-pyridin-4-yl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrimidine-1-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2-pyridin-4-yl-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrimidine-1-carboxamide is sourced from PubChem (CID 173130190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).