2-(2-chloro-6-oxopyrazin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3,4-dicarbonitrile

C17H14ClN5O — CID 154759517

IUPAC2-(2-chloro-6-oxopyrazin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3,4-dicarbonitrile
SMILESN#Cc1c(-n2c(Cl)cncc2=O)nc2c(c1C#N)CCCCCC2
InChIInChI=1S/C17H14ClN5O/c18-15-9-21-10-16(24)23(15)17-13(8-20)12(7-19)11-5-3-1-2-4-6-14(11)22-17/h9-10H,1-6H2
InChIKeyZVPYSZULQAAKOF-UHFFFAOYSA-N
MW339.79 g/mol
LogP2.68
Rot. Bonds1

About 2-(2-chloro-6-oxopyrazin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3,4-dicarbonitrile

2-(2-chloro-6-oxopyrazin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3,4-dicarbonitrile (PubChem CID 154759517) has the molecular formula C17H14ClN5O and a molecular weight of 339.79 g/mol. Its IUPAC name is 2-(2-chloro-6-oxopyrazin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3,4-dicarbonitrile.

Molecular Properties

Compound Name2-(2-chloro-6-oxopyrazin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3,4-dicarbonitrile
PubChem CID154759517
Molecular FormulaC17H14ClN5O
Molecular Weight339.79 g/mol
Exact Mass339.09
IUPAC Name2-(2-chloro-6-oxopyrazin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3,4-dicarbonitrile
SMILESN#Cc1c(-n2c(Cl)cncc2=O)nc2c(c1C#N)CCCCCC2
InChIInChI=1S/C17H14ClN5O/c18-15-9-21-10-16(24)23(15)17-13(8-20)12(7-19)11-5-3-1-2-4-6-14(11)22-17/h9-10H,1-6H2
InChIKeyZVPYSZULQAAKOF-UHFFFAOYSA-N
XLogP2.68
TPSA95.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2-chloro-6-oxopyrazin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3,4-dicarbonitrile with MolForge

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Related Compounds

2-[3-(2,2-difluoroethyl)azetidin-1-yl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3,4-dicarbonitrile
CID 128902050
3-amino-2-chloro-5,6,7,8-tetrahydroquinoline-4-carbonitrile
CID 82611386
2-chloro-4-pyridin-3-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 82093014
5-[1-(4-chlorophenyl)cyclopropyl]-8-oxo-2,6,7-triazatricyclo[7.5.0.03,7]tetradeca-1(9),2,4-triene-4-carbonitrile
CID 166645677
2-[1-(4-chlorophenyl)cyclopropyl]-9-oxo-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazoline-3-carbonitrile
CID 166645678
2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbonitrile
CID 82449837
2-amino-4-(4-hydroxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 679342
2-chloro-4-(furan-2-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 82089655
4-(4-chlorophenyl)-2-(methylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 56933567
2-[(3-hydroxy-1-methylpyrrolidin-3-yl)methylamino]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3,4-dicarbonitrile
CID 167761000
2-chloro-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile
CID 63460303
4-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 82375874

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-oxopyrazin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3,4-dicarbonitrile?
The IUPAC name of 2-(2-chloro-6-oxopyrazin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3,4-dicarbonitrile (CID 154759517) is 2-(2-chloro-6-oxopyrazin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3,4-dicarbonitrile.
What is the SMILES notation for 2-(2-chloro-6-oxopyrazin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3,4-dicarbonitrile?
The canonical SMILES for 2-(2-chloro-6-oxopyrazin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3,4-dicarbonitrile is N#Cc1c(-n2c(Cl)cncc2=O)nc2c(c1C#N)CCCCCC2.
What is the InChIKey of 2-(2-chloro-6-oxopyrazin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3,4-dicarbonitrile?
The InChIKey is ZVPYSZULQAAKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O/c18-15-9-21-10-16(24)23(15)17-13(8-20)12(7-19)11-5-3-1-2-4-6-14(11)22-17/h9-10H,1-6H2.
What are the key properties of 2-(2-chloro-6-oxopyrazin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3,4-dicarbonitrile?
2-(2-chloro-6-oxopyrazin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3,4-dicarbonitrile has a molecular weight of 339.79 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-oxopyrazin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3,4-dicarbonitrile is sourced from PubChem (CID 154759517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).