6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-8,9-dihydro-2H-pyrido[4,3-c][1,6]naphthyridin-1-one

C15H15F3N4O — CID 91511400

IUPAC6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-8,9-dihydro-2H-pyrido[4,3-c][1,6]naphthyridin-1-one
SMILESCC[C@H](Nc1nc2cc[nH]c(=O)c2c2c1=CCNC=2)C(F)(F)F
InChIInChI=1S/C15H15F3N4O/c1-2-11(15(16,17)18)22-13-8-3-5-19-7-9(8)12-10(21-13)4-6-20-14(12)23/h3-4,6-7,11,19H,2,5H2,1H3,(H,20,23)(H,21,22)/t11-/m0/s1
InChIKeyYOZWITPNIHZKET-NSHDSACASA-N
MW324.31 g/mol
LogP0.80
Rot. Bonds3

About 6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-8,9-dihydro-2H-pyrido[4,3-c][1,6]naphthyridin-1-one

6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-8,9-dihydro-2H-pyrido[4,3-c][1,6]naphthyridin-1-one (PubChem CID 91511400) has the molecular formula C15H15F3N4O and a molecular weight of 324.31 g/mol. Its IUPAC name is 6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-8,9-dihydro-2H-pyrido[4,3-c][1,6]naphthyridin-1-one.

Molecular Properties

Compound Name6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-8,9-dihydro-2H-pyrido[4,3-c][1,6]naphthyridin-1-one
PubChem CID91511400
Molecular FormulaC15H15F3N4O
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC Name6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-8,9-dihydro-2H-pyrido[4,3-c][1,6]naphthyridin-1-one
SMILESCC[C@H](Nc1nc2cc[nH]c(=O)c2c2c1=CCNC=2)C(F)(F)F
InChIInChI=1S/C15H15F3N4O/c1-2-11(15(16,17)18)22-13-8-3-5-19-7-9(8)12-10(21-13)4-6-20-14(12)23/h3-4,6-7,11,19H,2,5H2,1H3,(H,20,23)(H,21,22)/t11-/m0/s1
InChIKeyYOZWITPNIHZKET-NSHDSACASA-N
XLogP0.80
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-8,9-dihydro-2H-pyrido[4,3-c][1,6]naphthyridin-1-one with MolForge

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Launch Full Analysis

Related Compounds

6-[2-chloro-6-fluoro-4-(1H-pyrazol-5-yl)anilino]-8,9-dihydro-2H-pyrido[4,3-c][1,6]naphthyridin-1-one
CID 91414273
6-[2,6-dichloro-4-[1-(prop-2-enoxyamino)ethenyl]anilino]-8,9-dihydro-2H-pyrido[4,3-c][1,6]naphthyridin-1-one
CID 91479396
2-amino-4-[[(3R)-hexan-3-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one
CID 170186453
6-(2,2,2-trifluoroethylamino)-2H-pyrido[4,3-c][1,6]naphthyridin-1-one
CID 25097797
9-(4-morpholin-4-ylphenyl)-6-[[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-2H-benzo[c][1,6]naphthyridin-1-one
CID 59375544
6-(3,3-dimethylbutan-2-ylamino)-9-phenyl-2H-benzo[c][1,6]naphthyridin-1-one
CID 70878022
2-[4-[1-oxo-6-[[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-2H-benzo[c][1,6]naphthyridin-9-yl]morpholin-4-ium-4-yl]acetamide
CID 91572459
cis-(1S,2S)-N-(4-ethyl-5-oxo-6H-1,6-naphthyridin-2-yl)-2-fluorocyclopropane-1-carboxamide
CID 177348755
6-(3,3-dimethylbutan-2-ylamino)-9-methylsulfanyl-2H-benzo[c][1,6]naphthyridin-1-one
CID 145475364
6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one
CID 25096274
2-amino-4-(2-ethoxyethylamino)-6H-pyrido[4,3-d]pyrimidin-5-one
CID 170186114
6-[(3-amino-2,2-dimethylpropyl)amino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one
CID 52946111

Frequently Asked Questions

What is the IUPAC name of 6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-8,9-dihydro-2H-pyrido[4,3-c][1,6]naphthyridin-1-one?
The IUPAC name of 6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-8,9-dihydro-2H-pyrido[4,3-c][1,6]naphthyridin-1-one (CID 91511400) is 6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-8,9-dihydro-2H-pyrido[4,3-c][1,6]naphthyridin-1-one.
What is the SMILES notation for 6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-8,9-dihydro-2H-pyrido[4,3-c][1,6]naphthyridin-1-one?
The canonical SMILES for 6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-8,9-dihydro-2H-pyrido[4,3-c][1,6]naphthyridin-1-one is CC[C@H](Nc1nc2cc[nH]c(=O)c2c2c1=CCNC=2)C(F)(F)F.
What is the InChIKey of 6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-8,9-dihydro-2H-pyrido[4,3-c][1,6]naphthyridin-1-one?
The InChIKey is YOZWITPNIHZKET-NSHDSACASA-N. The full InChI is InChI=1S/C15H15F3N4O/c1-2-11(15(16,17)18)22-13-8-3-5-19-7-9(8)12-10(21-13)4-6-20-14(12)23/h3-4,6-7,11,19H,2,5H2,1H3,(H,20,23)(H,21,22)/t11-/m0/s1.
What are the key properties of 6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-8,9-dihydro-2H-pyrido[4,3-c][1,6]naphthyridin-1-one?
6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-8,9-dihydro-2H-pyrido[4,3-c][1,6]naphthyridin-1-one has a molecular weight of 324.31 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S)-1,1,1-trifluorobutan-2-yl]amino]-8,9-dihydro-2H-pyrido[4,3-c][1,6]naphthyridin-1-one is sourced from PubChem (CID 91511400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).