6-[5-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C16H15F3N4O2 — CID 86305422

IUPAC6-[5-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESNC(=O)N1CCCc2cc(-c3cncc(C(O)C(F)(F)F)c3)cnc21
InChIInChI=1S/C16H15F3N4O2/c17-16(18,19)13(24)12-5-10(6-21-7-12)11-4-9-2-1-3-23(15(20)25)14(9)22-8-11/h4-8,13,24H,1-3H2,(H2,20,25)
InChIKeySTFOWNMXAVNANZ-UHFFFAOYSA-N
MW352.32 g/mol
LogP2.57
Rot. Bonds2

About 6-[5-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

6-[5-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 86305422) has the molecular formula C16H15F3N4O2 and a molecular weight of 352.32 g/mol. Its IUPAC name is 6-[5-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-[5-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID86305422
Molecular FormulaC16H15F3N4O2
Molecular Weight352.32 g/mol
Exact Mass352.11
IUPAC Name6-[5-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESNC(=O)N1CCCc2cc(-c3cncc(C(O)C(F)(F)F)c3)cnc21
InChIInChI=1S/C16H15F3N4O2/c17-16(18,19)13(24)12-5-10(6-21-7-12)11-4-9-2-1-3-23(15(20)25)14(9)22-8-11/h4-8,13,24H,1-3H2,(H2,20,25)
InChIKeySTFOWNMXAVNANZ-UHFFFAOYSA-N
XLogP2.57
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 6-[5-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 86305422) is 6-[5-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-[5-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 6-[5-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is NC(=O)N1CCCc2cc(-c3cncc(C(O)C(F)(F)F)c3)cnc21.
What is the InChIKey of 6-[5-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is STFOWNMXAVNANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O2/c17-16(18,19)13(24)12-5-10(6-21-7-12)11-4-9-2-1-3-23(15(20)25)14(9)22-8-11/h4-8,13,24H,1-3H2,(H2,20,25).
What are the key properties of 6-[5-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
6-[5-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 352.32 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 86305422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).