4-(benzylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile

C16H12N4O — CID 138518193

IUPAC4-(benzylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
SMILESN#Cc1c(NCc2ccccc2)c2ccncc2[nH]c1=O
InChIInChI=1S/C16H12N4O/c17-8-13-15(19-9-11-4-2-1-3-5-11)12-6-7-18-10-14(12)20-16(13)21/h1-7,10H,9H2,(H2,19,20,21)
InChIKeyBVUSTHAWFDXCLQ-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.41
Rot. Bonds3

About 4-(benzylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile

4-(benzylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (PubChem CID 138518193) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-(benzylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(benzylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
PubChem CID138518193
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name4-(benzylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
SMILESN#Cc1c(NCc2ccccc2)c2ccncc2[nH]c1=O
InChIInChI=1S/C16H12N4O/c17-8-13-15(19-9-11-4-2-1-3-5-11)12-6-7-18-10-14(12)20-16(13)21/h1-7,10H,9H2,(H2,19,20,21)
InChIKeyBVUSTHAWFDXCLQ-UHFFFAOYSA-N
XLogP2.41
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 4-(benzylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (CID 138518193) is 4-(benzylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-(benzylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-(benzylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile is N#Cc1c(NCc2ccccc2)c2ccncc2[nH]c1=O.
What is the InChIKey of 4-(benzylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The InChIKey is BVUSTHAWFDXCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c17-8-13-15(19-9-11-4-2-1-3-5-11)12-6-7-18-10-14(12)20-16(13)21/h1-7,10H,9H2,(H2,19,20,21).
What are the key properties of 4-(benzylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
4-(benzylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile has a molecular weight of 276.30 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 138518193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).