2-amino-3-benzoyl-5-hydroxy-7-oxo-6H-1,6-naphthyridine-8-carbonitrile

C16H10N4O3 — CID 135449644

IUPAC2-amino-3-benzoyl-5-hydroxy-7-oxo-6H-1,6-naphthyridine-8-carbonitrile
SMILESN#Cc1c(=O)[nH]c(O)c2cc(C(=O)c3ccccc3)c(N)nc12
InChIInChI=1S/C16H10N4O3/c17-7-11-12-9(15(22)20-16(11)23)6-10(14(18)19-12)13(21)8-4-2-1-3-5-8/h1-6H,(H2,18,19)(H2,20,22,23)
InChIKeyNBVNIGFJTFTXFH-UHFFFAOYSA-N
MW306.28 g/mol
LogP1.31
Rot. Bonds2

About 2-amino-3-benzoyl-5-hydroxy-7-oxo-6H-1,6-naphthyridine-8-carbonitrile

2-amino-3-benzoyl-5-hydroxy-7-oxo-6H-1,6-naphthyridine-8-carbonitrile (PubChem CID 135449644) has the molecular formula C16H10N4O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is 2-amino-3-benzoyl-5-hydroxy-7-oxo-6H-1,6-naphthyridine-8-carbonitrile.

Molecular Properties

Compound Name2-amino-3-benzoyl-5-hydroxy-7-oxo-6H-1,6-naphthyridine-8-carbonitrile
PubChem CID135449644
Molecular FormulaC16H10N4O3
Molecular Weight306.28 g/mol
Exact Mass306.08
IUPAC Name2-amino-3-benzoyl-5-hydroxy-7-oxo-6H-1,6-naphthyridine-8-carbonitrile
SMILESN#Cc1c(=O)[nH]c(O)c2cc(C(=O)c3ccccc3)c(N)nc12
InChIInChI=1S/C16H10N4O3/c17-7-11-12-9(15(22)20-16(11)23)6-10(14(18)19-12)13(21)8-4-2-1-3-5-8/h1-6H,(H2,18,19)(H2,20,22,23)
InChIKeyNBVNIGFJTFTXFH-UHFFFAOYSA-N
XLogP1.31
TPSA132.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-benzoyl-6-oxo-2-phenyl-1H-pyridine-3-carbonitrile
CID 135018572
6,7-dibenzoylnaphthalene-2,3-dicarbonitrile
CID 44556911
3-amino-2-benzoyl-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxylic acid
CID 950368
3-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)benzoic acid
CID 169393283
10-benzoylanthracene-9-carbonitrile
CID 71356838
2-benzoyl-4-chloro-6-methylbenzonitrile
CID 166441428
2-amino-4-benzoyl-6-phenylsulfanylpyridine-3,5-dicarbonitrile
CID 154585292
8-amino-7-benzoyl-3-imino-6-oxo-2-phenyl-5H-pyrido[3,2-c]pyridazine-4-carbonitrile
CID 135458218
6-amino-2-[1,3-benzothiazol-2-yl(cyano)methyl]-5-benzoylpyridine-3-carbonitrile
CID 101001060
3,6-diamino-2-benzoyl-4-methylthieno[2,3-b]pyridine-5-carbonitrile
CID 3366201
6-amino-5-benzoyl-1H-pyrimidin-2-one
CID 19842463
5-benzoyl-6-oxo-1H-pyrimidine-2-carboxylic acid
CID 59803090

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-benzoyl-5-hydroxy-7-oxo-6H-1,6-naphthyridine-8-carbonitrile?
The IUPAC name of 2-amino-3-benzoyl-5-hydroxy-7-oxo-6H-1,6-naphthyridine-8-carbonitrile (CID 135449644) is 2-amino-3-benzoyl-5-hydroxy-7-oxo-6H-1,6-naphthyridine-8-carbonitrile.
What is the SMILES notation for 2-amino-3-benzoyl-5-hydroxy-7-oxo-6H-1,6-naphthyridine-8-carbonitrile?
The canonical SMILES for 2-amino-3-benzoyl-5-hydroxy-7-oxo-6H-1,6-naphthyridine-8-carbonitrile is N#Cc1c(=O)[nH]c(O)c2cc(C(=O)c3ccccc3)c(N)nc12.
What is the InChIKey of 2-amino-3-benzoyl-5-hydroxy-7-oxo-6H-1,6-naphthyridine-8-carbonitrile?
The InChIKey is NBVNIGFJTFTXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O3/c17-7-11-12-9(15(22)20-16(11)23)6-10(14(18)19-12)13(21)8-4-2-1-3-5-8/h1-6H,(H2,18,19)(H2,20,22,23).
What are the key properties of 2-amino-3-benzoyl-5-hydroxy-7-oxo-6H-1,6-naphthyridine-8-carbonitrile?
2-amino-3-benzoyl-5-hydroxy-7-oxo-6H-1,6-naphthyridine-8-carbonitrile has a molecular weight of 306.28 g/mol, XLogP of 1.31, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-benzoyl-5-hydroxy-7-oxo-6H-1,6-naphthyridine-8-carbonitrile is sourced from PubChem (CID 135449644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).