4-(5-oxo-8-pyrazolidin-4-yl-1,6-naphthyridin-6-yl)benzonitrile

C18H15N5O — CID 133081446

IUPAC4-(5-oxo-8-pyrazolidin-4-yl-1,6-naphthyridin-6-yl)benzonitrile
SMILESN#Cc1ccc(-n2cc(C3CNNC3)c3ncccc3c2=O)cc1
InChIInChI=1S/C18H15N5O/c19-8-12-3-5-14(6-4-12)23-11-16(13-9-21-22-10-13)17-15(18(23)24)2-1-7-20-17/h1-7,11,13,21-22H,9-10H2
InChIKeyJEAMLBJFZRVGQP-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.45
Rot. Bonds2

About 4-(5-oxo-8-pyrazolidin-4-yl-1,6-naphthyridin-6-yl)benzonitrile

4-(5-oxo-8-pyrazolidin-4-yl-1,6-naphthyridin-6-yl)benzonitrile (PubChem CID 133081446) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-(5-oxo-8-pyrazolidin-4-yl-1,6-naphthyridin-6-yl)benzonitrile.

Molecular Properties

Compound Name4-(5-oxo-8-pyrazolidin-4-yl-1,6-naphthyridin-6-yl)benzonitrile
PubChem CID133081446
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name4-(5-oxo-8-pyrazolidin-4-yl-1,6-naphthyridin-6-yl)benzonitrile
SMILESN#Cc1ccc(-n2cc(C3CNNC3)c3ncccc3c2=O)cc1
InChIInChI=1S/C18H15N5O/c19-8-12-3-5-14(6-4-12)23-11-16(13-9-21-22-10-13)17-15(18(23)24)2-1-7-20-17/h1-7,11,13,21-22H,9-10H2
InChIKeyJEAMLBJFZRVGQP-UHFFFAOYSA-N
XLogP1.45
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-oxo-8-pyrazolidin-4-yl-1,6-naphthyridin-6-yl)benzonitrile?
The IUPAC name of 4-(5-oxo-8-pyrazolidin-4-yl-1,6-naphthyridin-6-yl)benzonitrile (CID 133081446) is 4-(5-oxo-8-pyrazolidin-4-yl-1,6-naphthyridin-6-yl)benzonitrile.
What is the SMILES notation for 4-(5-oxo-8-pyrazolidin-4-yl-1,6-naphthyridin-6-yl)benzonitrile?
The canonical SMILES for 4-(5-oxo-8-pyrazolidin-4-yl-1,6-naphthyridin-6-yl)benzonitrile is N#Cc1ccc(-n2cc(C3CNNC3)c3ncccc3c2=O)cc1.
What is the InChIKey of 4-(5-oxo-8-pyrazolidin-4-yl-1,6-naphthyridin-6-yl)benzonitrile?
The InChIKey is JEAMLBJFZRVGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c19-8-12-3-5-14(6-4-12)23-11-16(13-9-21-22-10-13)17-15(18(23)24)2-1-7-20-17/h1-7,11,13,21-22H,9-10H2.
What are the key properties of 4-(5-oxo-8-pyrazolidin-4-yl-1,6-naphthyridin-6-yl)benzonitrile?
4-(5-oxo-8-pyrazolidin-4-yl-1,6-naphthyridin-6-yl)benzonitrile has a molecular weight of 317.35 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-oxo-8-pyrazolidin-4-yl-1,6-naphthyridin-6-yl)benzonitrile is sourced from PubChem (CID 133081446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).