6-[5-(5-methyl-1,2-oxazole-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile

C17H17N5O2 — CID 146080152

IUPAC6-[5-(5-methyl-1,2-oxazole-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile
SMILESCc1cc(C(=O)N2CC3CN(c4ccc(C#N)cn4)CC3C2)no1
InChIInChI=1S/C17H17N5O2/c1-11-4-15(20-24-11)17(23)22-9-13-7-21(8-14(13)10-22)16-3-2-12(5-18)6-19-16/h2-4,6,13-14H,7-10H2,1H3
InChIKeyKQWGADWEOYXFBX-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.46
Rot. Bonds2

About 6-[5-(5-methyl-1,2-oxazole-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile

6-[5-(5-methyl-1,2-oxazole-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile (PubChem CID 146080152) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 6-[5-(5-methyl-1,2-oxazole-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[5-(5-methyl-1,2-oxazole-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile
PubChem CID146080152
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name6-[5-(5-methyl-1,2-oxazole-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile
SMILESCc1cc(C(=O)N2CC3CN(c4ccc(C#N)cn4)CC3C2)no1
InChIInChI=1S/C17H17N5O2/c1-11-4-15(20-24-11)17(23)22-9-13-7-21(8-14(13)10-22)16-3-2-12(5-18)6-19-16/h2-4,6,13-14H,7-10H2,1H3
InChIKeyKQWGADWEOYXFBX-UHFFFAOYSA-N
XLogP1.46
TPSA86.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[5-(5-methyl-1,2-oxazole-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile with MolForge

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Related Compounds

6-[5-(3,3-difluorocyclobutanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile
CID 146080045
2-[1-(5-methyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252429
6-[5-(1-phenylcyclopropanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile
CID 146074963
6-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)pyridine-3-carbonitrile
CID 163351951
6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbonitrile
CID 79036597
3-(5-cyano-2-pyridinyl)-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid
CID 170168129
2-[1-(5-cyano-2-pyridinyl)azetidin-3-yl]propanoic acid
CID 116681902
(3,5-dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51072597
(2R)-4-(5-cyano-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid
CID 175401707
6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 60505849
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129366335
6-[4-(1-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 136525323

Frequently Asked Questions

What is the IUPAC name of 6-[5-(5-methyl-1,2-oxazole-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[5-(5-methyl-1,2-oxazole-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile (CID 146080152) is 6-[5-(5-methyl-1,2-oxazole-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[5-(5-methyl-1,2-oxazole-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[5-(5-methyl-1,2-oxazole-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile is Cc1cc(C(=O)N2CC3CN(c4ccc(C#N)cn4)CC3C2)no1.
What is the InChIKey of 6-[5-(5-methyl-1,2-oxazole-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile?
The InChIKey is KQWGADWEOYXFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-11-4-15(20-24-11)17(23)22-9-13-7-21(8-14(13)10-22)16-3-2-12(5-18)6-19-16/h2-4,6,13-14H,7-10H2,1H3.
What are the key properties of 6-[5-(5-methyl-1,2-oxazole-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile?
6-[5-(5-methyl-1,2-oxazole-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile has a molecular weight of 323.36 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(5-methyl-1,2-oxazole-3-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 146080152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).