4-amino-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile

C12H12N4O — CID 12818626

IUPAC4-amino-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile
SMILESCCn1c(=O)c(C#N)c(N)c2ccc(C)nc21
InChIInChI=1S/C12H12N4O/c1-3-16-11-8(5-4-7(2)15-11)10(14)9(6-13)12(16)17/h4-5H,3,14H2,1-2H3
InChIKeyJOOHPTIVOSYFDY-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.18
Rot. Bonds1

About 4-amino-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile

4-amino-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile (PubChem CID 12818626) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-amino-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile
PubChem CID12818626
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name4-amino-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile
SMILESCCn1c(=O)c(C#N)c(N)c2ccc(C)nc21
InChIInChI=1S/C12H12N4O/c1-3-16-11-8(5-4-7(2)15-11)10(14)9(6-13)12(16)17/h4-5H,3,14H2,1-2H3
InChIKeyJOOHPTIVOSYFDY-UHFFFAOYSA-N
XLogP1.18
TPSA84.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-amino-5-cyano-6-phenylpyridin-2-yl)acetamide
CID 11658882
N-[4-amino-5-cyano-6-(propan-2-ylamino)pyridin-2-yl]acetamide
CID 11564900
(E)-2-cyano-3-(4-fluorophenyl)-N-(6-methylpyridin-2-yl)acrylamide
CID 5548030
N-(4-amino-5-cyano-6-(ethylamino)pyridin-2-yl)acetamide
CID 11586583
N-(3-cyano-4,6-dimethylpyridin-2-yl)-N-phenylacetamide
CID 740890
(2Z)-3-amino-4,4,4-trichloro-2-cyano-N-(5-methylpyridin-2-yl)but-2-enamide
CID 5286935
(2E)-2-cyano-3-(4-methylphenyl)-N-(6-methylpyridin-2-yl)prop-2-enamide
CID 712339
4-(4-Fluorophenyl)-1,5,7-trimethyl-2-oxo-1,8-naphthyridine-3-carbonitrile
CID 4289166
7-Amino-4-methyl-1,8-naphthyridin-2-ol
CID 5354050
5,7-dimethyl-1,8-naphthyridin-2(1H)-one
CID 5374405
1-(2-hydroxypyridin-4-yl)-4-(methyl-amino)-7-(trifluoromethyl)-pyrido[2,3-d]pyrimidin-2(1H)-one
CID 153608766
2-Oxo-1,2-dihydro-1,8-naphthyridine-3-carbonitrile
CID 11344253

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile?
The IUPAC name of 4-amino-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile (CID 12818626) is 4-amino-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-amino-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile is CCn1c(=O)c(C#N)c(N)c2ccc(C)nc21.
What is the InChIKey of 4-amino-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile?
The InChIKey is JOOHPTIVOSYFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-3-16-11-8(5-4-7(2)15-11)10(14)9(6-13)12(16)17/h4-5H,3,14H2,1-2H3.
What are the key properties of 4-amino-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile?
4-amino-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile has a molecular weight of 228.25 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile is sourced from PubChem (CID 12818626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).