2-[5-(3,4-difluoro-2-methylphenoxy)-3-methyl-2-(trifluoromethyl)-4-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide

C23H15F5N4O3 — CID 169249446

IUPAC2-[5-(3,4-difluoro-2-methylphenoxy)-3-methyl-2-(trifluoromethyl)-4-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESCc1c(Oc2cnc(C(F)(F)F)c(C)c2-c2cc(=O)c3c(C(N)=O)nccc3[nH]2)ccc(F)c1F
InChIInChI=1S/C23H15F5N4O3/c1-9-15(4-3-11(24)19(9)25)35-16-8-31-21(23(26,27)28)10(2)17(16)13-7-14(33)18-12(32-13)5-6-30-20(18)22(29)34/h3-8H,1-2H3,(H2,29,34)(H,32,33)
InChIKeyJNORGTXTAVQVRN-UHFFFAOYSA-N
MW490.39 g/mol
LogP4.79
Rot. Bonds4

About 2-[5-(3,4-difluoro-2-methylphenoxy)-3-methyl-2-(trifluoromethyl)-4-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide

2-[5-(3,4-difluoro-2-methylphenoxy)-3-methyl-2-(trifluoromethyl)-4-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide (PubChem CID 169249446) has the molecular formula C23H15F5N4O3 and a molecular weight of 490.39 g/mol. Its IUPAC name is 2-[5-(3,4-difluoro-2-methylphenoxy)-3-methyl-2-(trifluoromethyl)-4-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide.

Molecular Properties

Compound Name2-[5-(3,4-difluoro-2-methylphenoxy)-3-methyl-2-(trifluoromethyl)-4-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
PubChem CID169249446
Molecular FormulaC23H15F5N4O3
Molecular Weight490.39 g/mol
Exact Mass490.11
IUPAC Name2-[5-(3,4-difluoro-2-methylphenoxy)-3-methyl-2-(trifluoromethyl)-4-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESCc1c(Oc2cnc(C(F)(F)F)c(C)c2-c2cc(=O)c3c(C(N)=O)nccc3[nH]2)ccc(F)c1F
InChIInChI=1S/C23H15F5N4O3/c1-9-15(4-3-11(24)19(9)25)35-16-8-31-21(23(26,27)28)10(2)17(16)13-7-14(33)18-12(32-13)5-6-30-20(18)22(29)34/h3-8H,1-2H3,(H2,29,34)(H,32,33)
InChIKeyJNORGTXTAVQVRN-UHFFFAOYSA-N
XLogP4.79
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.39
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-difluoro-2-methylphenoxy)-3-methyl-2-(trifluoromethyl)-4-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The IUPAC name of 2-[5-(3,4-difluoro-2-methylphenoxy)-3-methyl-2-(trifluoromethyl)-4-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide (CID 169249446) is 2-[5-(3,4-difluoro-2-methylphenoxy)-3-methyl-2-(trifluoromethyl)-4-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide.
What is the SMILES notation for 2-[5-(3,4-difluoro-2-methylphenoxy)-3-methyl-2-(trifluoromethyl)-4-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The canonical SMILES for 2-[5-(3,4-difluoro-2-methylphenoxy)-3-methyl-2-(trifluoromethyl)-4-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide is Cc1c(Oc2cnc(C(F)(F)F)c(C)c2-c2cc(=O)c3c(C(N)=O)nccc3[nH]2)ccc(F)c1F.
What is the InChIKey of 2-[5-(3,4-difluoro-2-methylphenoxy)-3-methyl-2-(trifluoromethyl)-4-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The InChIKey is JNORGTXTAVQVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F5N4O3/c1-9-15(4-3-11(24)19(9)25)35-16-8-31-21(23(26,27)28)10(2)17(16)13-7-14(33)18-12(32-13)5-6-30-20(18)22(29)34/h3-8H,1-2H3,(H2,29,34)(H,32,33).
What are the key properties of 2-[5-(3,4-difluoro-2-methylphenoxy)-3-methyl-2-(trifluoromethyl)-4-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
2-[5-(3,4-difluoro-2-methylphenoxy)-3-methyl-2-(trifluoromethyl)-4-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide has a molecular weight of 490.39 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-difluoro-2-methylphenoxy)-3-methyl-2-(trifluoromethyl)-4-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide is sourced from PubChem (CID 169249446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).