4-anilino-2-oxo-1H-1,7-naphthyridine-3-carbonitrile

C15H10N4O — CID 138518521

IUPAC4-anilino-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
SMILESN#Cc1c(Nc2ccccc2)c2ccncc2[nH]c1=O
InChIInChI=1S/C15H10N4O/c16-8-12-14(18-10-4-2-1-3-5-10)11-6-7-17-9-13(11)19-15(12)20/h1-7,9H,(H2,18,19,20)
InChIKeyFHGMGCMWBXZWOO-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.54
Rot. Bonds2

About 4-anilino-2-oxo-1H-1,7-naphthyridine-3-carbonitrile

4-anilino-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (PubChem CID 138518521) has the molecular formula C15H10N4O and a molecular weight of 262.27 g/mol. Its IUPAC name is 4-anilino-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-anilino-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
PubChem CID138518521
Molecular FormulaC15H10N4O
Molecular Weight262.27 g/mol
Exact Mass262.09
IUPAC Name4-anilino-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
SMILESN#Cc1c(Nc2ccccc2)c2ccncc2[nH]c1=O
InChIInChI=1S/C15H10N4O/c16-8-12-14(18-10-4-2-1-3-5-10)11-6-7-17-9-13(11)19-15(12)20/h1-7,9H,(H2,18,19,20)
InChIKeyFHGMGCMWBXZWOO-UHFFFAOYSA-N
XLogP2.54
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 4-anilino-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (CID 138518521) is 4-anilino-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-anilino-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-anilino-2-oxo-1H-1,7-naphthyridine-3-carbonitrile is N#Cc1c(Nc2ccccc2)c2ccncc2[nH]c1=O.
What is the InChIKey of 4-anilino-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The InChIKey is FHGMGCMWBXZWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O/c16-8-12-14(18-10-4-2-1-3-5-10)11-6-7-17-9-13(11)19-15(12)20/h1-7,9H,(H2,18,19,20).
What are the key properties of 4-anilino-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
4-anilino-2-oxo-1H-1,7-naphthyridine-3-carbonitrile has a molecular weight of 262.27 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-2-oxo-1H-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 138518521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).