8-(3-fluoro-N-methylanilino)-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile

C17H13FN4O — CID 170792083

IUPAC8-(3-fluoro-N-methylanilino)-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
SMILESCN(c1cccc(F)c1)c1cc(=O)n(C)c2ccc(C#N)nc12
InChIInChI=1S/C17H13FN4O/c1-21(13-5-3-4-11(18)8-13)15-9-16(23)22(2)14-7-6-12(10-19)20-17(14)15/h3-9H,1-2H3
InChIKeyIKFUXJFPEDLVOI-UHFFFAOYSA-N
MW308.32 g/mol
LogP2.71
Rot. Bonds2

About 8-(3-fluoro-N-methylanilino)-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile

8-(3-fluoro-N-methylanilino)-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile (PubChem CID 170792083) has the molecular formula C17H13FN4O and a molecular weight of 308.32 g/mol. Its IUPAC name is 8-(3-fluoro-N-methylanilino)-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile.

Molecular Properties

Compound Name8-(3-fluoro-N-methylanilino)-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
PubChem CID170792083
Molecular FormulaC17H13FN4O
Molecular Weight308.32 g/mol
Exact Mass308.11
IUPAC Name8-(3-fluoro-N-methylanilino)-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
SMILESCN(c1cccc(F)c1)c1cc(=O)n(C)c2ccc(C#N)nc12
InChIInChI=1S/C17H13FN4O/c1-21(13-5-3-4-11(18)8-13)15-9-16(23)22(2)14-7-6-12(10-19)20-17(14)15/h3-9H,1-2H3
InChIKeyIKFUXJFPEDLVOI-UHFFFAOYSA-N
XLogP2.71
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-[[4-[N-(cyclopropylmethyl)-3-fluoro-5-methylanilino]cyclohexyl]-methylamino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 164539546
8-[4-cyclopropyl-N-(cyclopropylmethyl)-3-(3-fluorophenyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 175993650
8-[3-chloro-N-(cyclopropylmethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 170792029
5-methyl-6-oxo-8-(trifluoromethylsulfanyloxy)-1,5-naphthyridine-2-carbonitrile
CID 156802061
8-[(2S,4R,5R)-4-(4-fluoro-N-methylanilino)-2,5-dimethylpiperidin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 169123358
8-[N-(cyclopropylmethyl)-4-(trifluoromethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 170792101
8-[4-cyclobutyl-N-(cyclopropylmethyl)anilino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 170792027
8-[[(2S)-1-aminopropan-2-yl]-(3-hydroxypropyl)amino]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 146641182
8-[4-[bis(4-fluorophenyl)methyl]-3,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 146466746
5-methyl-8-[(3S,4S)-3-methyl-4-(2,4,6-trifluorophenoxy)piperidin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 171904275
8-[(2S)-4-[(2,4-difluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 169079814
8-[(2S)-4-[1-(2,6-difluorophenyl)ethyl]-2-methylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 163448940

Frequently Asked Questions

What is the IUPAC name of 8-(3-fluoro-N-methylanilino)-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?
The IUPAC name of 8-(3-fluoro-N-methylanilino)-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile (CID 170792083) is 8-(3-fluoro-N-methylanilino)-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile.
What is the SMILES notation for 8-(3-fluoro-N-methylanilino)-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?
The canonical SMILES for 8-(3-fluoro-N-methylanilino)-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile is CN(c1cccc(F)c1)c1cc(=O)n(C)c2ccc(C#N)nc12.
What is the InChIKey of 8-(3-fluoro-N-methylanilino)-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?
The InChIKey is IKFUXJFPEDLVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O/c1-21(13-5-3-4-11(18)8-13)15-9-16(23)22(2)14-7-6-12(10-19)20-17(14)15/h3-9H,1-2H3.
What are the key properties of 8-(3-fluoro-N-methylanilino)-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile?
8-(3-fluoro-N-methylanilino)-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile has a molecular weight of 308.32 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluoro-N-methylanilino)-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile is sourced from PubChem (CID 170792083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).