6-chloro-4-hydroxy-2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide

C16H10ClF3N4O3 — CID 69089441

IUPAC6-chloro-4-hydroxy-2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESNC(=O)c1c(O)c2cc(Cl)cnc2n(Cc2ccc(C(F)(F)F)nc2)c1=O
InChIInChI=1S/C16H10ClF3N4O3/c17-8-3-9-12(25)11(13(21)26)15(27)24(14(9)23-5-8)6-7-1-2-10(22-4-7)16(18,19)20/h1-5,25H,6H2,(H2,21,26)
InChIKeyBNFYPIJPEJGEET-UHFFFAOYSA-N
MW398.73 g/mol
LogP2.32
Rot. Bonds3

About 6-chloro-4-hydroxy-2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide

6-chloro-4-hydroxy-2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 69089441) has the molecular formula C16H10ClF3N4O3 and a molecular weight of 398.73 g/mol. Its IUPAC name is 6-chloro-4-hydroxy-2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-hydroxy-2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide
PubChem CID69089441
Molecular FormulaC16H10ClF3N4O3
Molecular Weight398.73 g/mol
Exact Mass398.04
IUPAC Name6-chloro-4-hydroxy-2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide
SMILESNC(=O)c1c(O)c2cc(Cl)cnc2n(Cc2ccc(C(F)(F)F)nc2)c1=O
InChIInChI=1S/C16H10ClF3N4O3/c17-8-3-9-12(25)11(13(21)26)15(27)24(14(9)23-5-8)6-7-1-2-10(22-4-7)16(18,19)20/h1-5,25H,6H2,(H2,21,26)
InChIKeyBNFYPIJPEJGEET-UHFFFAOYSA-N
XLogP2.32
TPSA111.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.73
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-hydroxy-2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 6-chloro-4-hydroxy-2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide (CID 69089441) is 6-chloro-4-hydroxy-2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-hydroxy-2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 6-chloro-4-hydroxy-2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide is NC(=O)c1c(O)c2cc(Cl)cnc2n(Cc2ccc(C(F)(F)F)nc2)c1=O.
What is the InChIKey of 6-chloro-4-hydroxy-2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is BNFYPIJPEJGEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N4O3/c17-8-3-9-12(25)11(13(21)26)15(27)24(14(9)23-5-8)6-7-1-2-10(22-4-7)16(18,19)20/h1-5,25H,6H2,(H2,21,26).
What are the key properties of 6-chloro-4-hydroxy-2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide?
6-chloro-4-hydroxy-2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 398.73 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-hydroxy-2-oxo-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 69089441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).