3-amino-2-benzyl-1-oxo-2,7-naphthyridine-4-carbonitrile

C16H12N4O — CID 10564390

IUPAC3-amino-2-benzyl-1-oxo-2,7-naphthyridine-4-carbonitrile
SMILESN#Cc1c(N)n(Cc2ccccc2)c(=O)c2cnccc12
InChIInChI=1S/C16H12N4O/c17-8-13-12-6-7-19-9-14(12)16(21)20(15(13)18)10-11-4-2-1-3-5-11/h1-7,9H,10,18H2
InChIKeyGTXLNTNHYUTQCM-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.90
Rot. Bonds2

About 3-amino-2-benzyl-1-oxo-2,7-naphthyridine-4-carbonitrile

3-amino-2-benzyl-1-oxo-2,7-naphthyridine-4-carbonitrile (PubChem CID 10564390) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-amino-2-benzyl-1-oxo-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-benzyl-1-oxo-2,7-naphthyridine-4-carbonitrile
PubChem CID10564390
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name3-amino-2-benzyl-1-oxo-2,7-naphthyridine-4-carbonitrile
SMILESN#Cc1c(N)n(Cc2ccccc2)c(=O)c2cnccc12
InChIInChI=1S/C16H12N4O/c17-8-13-12-6-7-19-9-14(12)16(21)20(15(13)18)10-11-4-2-1-3-5-11/h1-7,9H,10,18H2
InChIKeyGTXLNTNHYUTQCM-UHFFFAOYSA-N
XLogP1.90
TPSA84.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-benzyl-1-oxo-2,7-naphthyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-benzyl-1-oxo-2,7-naphthyridine-4-carbonitrile (CID 10564390) is 3-amino-2-benzyl-1-oxo-2,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-benzyl-1-oxo-2,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-benzyl-1-oxo-2,7-naphthyridine-4-carbonitrile is N#Cc1c(N)n(Cc2ccccc2)c(=O)c2cnccc12.
What is the InChIKey of 3-amino-2-benzyl-1-oxo-2,7-naphthyridine-4-carbonitrile?
The InChIKey is GTXLNTNHYUTQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c17-8-13-12-6-7-19-9-14(12)16(21)20(15(13)18)10-11-4-2-1-3-5-11/h1-7,9H,10,18H2.
What are the key properties of 3-amino-2-benzyl-1-oxo-2,7-naphthyridine-4-carbonitrile?
3-amino-2-benzyl-1-oxo-2,7-naphthyridine-4-carbonitrile has a molecular weight of 276.30 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-benzyl-1-oxo-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 10564390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).