6-[[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-2H-pyrido[4,3-c][1,6]naphthyridin-1-one

C16H15F3N4O — CID 25096016

IUPAC6-[[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-2H-pyrido[4,3-c][1,6]naphthyridin-1-one
SMILESCC(C)[C@@H](Nc1nc2cc[nH]c(=O)c2c2cnccc12)C(F)(F)F
InChIInChI=1S/C16H15F3N4O/c1-8(2)13(16(17,18)19)23-14-9-3-5-20-7-10(9)12-11(22-14)4-6-21-15(12)24/h3-8,13H,1-2H3,(H,21,24)(H,22,23)/t13-/m1/s1
InChIKeyDBPPYNQBKGUMSZ-CYBMUJFWSA-N
MW336.32 g/mol
LogP3.47
Rot. Bonds3

About 6-[[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-2H-pyrido[4,3-c][1,6]naphthyridin-1-one

6-[[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-2H-pyrido[4,3-c][1,6]naphthyridin-1-one (PubChem CID 25096016) has the molecular formula C16H15F3N4O and a molecular weight of 336.32 g/mol. Its IUPAC name is 6-[[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-2H-pyrido[4,3-c][1,6]naphthyridin-1-one.

Molecular Properties

Compound Name6-[[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-2H-pyrido[4,3-c][1,6]naphthyridin-1-one
PubChem CID25096016
Molecular FormulaC16H15F3N4O
Molecular Weight336.32 g/mol
Exact Mass336.12
IUPAC Name6-[[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-2H-pyrido[4,3-c][1,6]naphthyridin-1-one
SMILESCC(C)[C@@H](Nc1nc2cc[nH]c(=O)c2c2cnccc12)C(F)(F)F
InChIInChI=1S/C16H15F3N4O/c1-8(2)13(16(17,18)19)23-14-9-3-5-20-7-10(9)12-11(22-14)4-6-21-15(12)24/h3-8,13H,1-2H3,(H,21,24)(H,22,23)/t13-/m1/s1
InChIKeyDBPPYNQBKGUMSZ-CYBMUJFWSA-N
XLogP3.47
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-2H-pyrido[4,3-c][1,6]naphthyridin-1-one?
The IUPAC name of 6-[[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-2H-pyrido[4,3-c][1,6]naphthyridin-1-one (CID 25096016) is 6-[[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-2H-pyrido[4,3-c][1,6]naphthyridin-1-one.
What is the SMILES notation for 6-[[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-2H-pyrido[4,3-c][1,6]naphthyridin-1-one?
The canonical SMILES for 6-[[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-2H-pyrido[4,3-c][1,6]naphthyridin-1-one is CC(C)[C@@H](Nc1nc2cc[nH]c(=O)c2c2cnccc12)C(F)(F)F.
What is the InChIKey of 6-[[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-2H-pyrido[4,3-c][1,6]naphthyridin-1-one?
The InChIKey is DBPPYNQBKGUMSZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H15F3N4O/c1-8(2)13(16(17,18)19)23-14-9-3-5-20-7-10(9)12-11(22-14)4-6-21-15(12)24/h3-8,13H,1-2H3,(H,21,24)(H,22,23)/t13-/m1/s1.
What are the key properties of 6-[[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-2H-pyrido[4,3-c][1,6]naphthyridin-1-one?
6-[[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-2H-pyrido[4,3-c][1,6]naphthyridin-1-one has a molecular weight of 336.32 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]amino]-2H-pyrido[4,3-c][1,6]naphthyridin-1-one is sourced from PubChem (CID 25096016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).