4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzonitrile

C19H14N4O — CID 16720203

IUPAC4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1
InChIInChI=1S/C19H14N4O/c20-11-12-1-3-13(4-2-12)17-9-14(5-7-21-17)18-10-15-16(23-18)6-8-22-19(15)24/h1-5,7,9-10,23H,6,8H2,(H,22,24)
InChIKeyFJFQQDIWZQOBLI-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.90
Rot. Bonds2

About 4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzonitrile

4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzonitrile (PubChem CID 16720203) has the molecular formula C19H14N4O and a molecular weight of 314.35 g/mol. Its IUPAC name is 4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzonitrile
PubChem CID16720203
Molecular FormulaC19H14N4O
Molecular Weight314.35 g/mol
Exact Mass314.12
IUPAC Name4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1
InChIInChI=1S/C19H14N4O/c20-11-12-1-3-13(4-2-12)17-9-14(5-7-21-17)18-10-15-16(23-18)6-8-22-19(15)24/h1-5,7,9-10,23H,6,8H2,(H,22,24)
InChIKeyFJFQQDIWZQOBLI-UHFFFAOYSA-N
XLogP2.90
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzonitrile?
The IUPAC name of 4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzonitrile (CID 16720203) is 4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzonitrile?
The canonical SMILES for 4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzonitrile is N#Cc1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1.
What is the InChIKey of 4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzonitrile?
The InChIKey is FJFQQDIWZQOBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O/c20-11-12-1-3-13(4-2-12)17-9-14(5-7-21-17)18-10-15-16(23-18)6-8-22-19(15)24/h1-5,7,9-10,23H,6,8H2,(H,22,24).
What are the key properties of 4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzonitrile?
4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzonitrile has a molecular weight of 314.35 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzonitrile is sourced from PubChem (CID 16720203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).