1-methyl-4-oxo-N-[4-pyridin-2-yl-3-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxamide

C22H15F3N4O2 — CID 57400588

IUPAC1-methyl-4-oxo-N-[4-pyridin-2-yl-3-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(-c3ccccn3)c(C(F)(F)F)c2)c(=O)c2cnccc21
InChIInChI=1S/C22H15F3N4O2/c1-29-12-16(20(30)15-11-26-9-7-19(15)29)21(31)28-13-5-6-14(17(10-13)22(23,24)25)18-4-2-3-8-27-18/h2-12H,1H3,(H,28,31)
InChIKeyUVPXKUCCPFYUHG-UHFFFAOYSA-N
MW424.38 g/mol
LogP4.27
Rot. Bonds3

About 1-methyl-4-oxo-N-[4-pyridin-2-yl-3-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxamide

1-methyl-4-oxo-N-[4-pyridin-2-yl-3-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxamide (PubChem CID 57400588) has the molecular formula C22H15F3N4O2 and a molecular weight of 424.38 g/mol. Its IUPAC name is 1-methyl-4-oxo-N-[4-pyridin-2-yl-3-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-4-oxo-N-[4-pyridin-2-yl-3-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxamide
PubChem CID57400588
Molecular FormulaC22H15F3N4O2
Molecular Weight424.38 g/mol
Exact Mass424.11
IUPAC Name1-methyl-4-oxo-N-[4-pyridin-2-yl-3-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(-c3ccccn3)c(C(F)(F)F)c2)c(=O)c2cnccc21
InChIInChI=1S/C22H15F3N4O2/c1-29-12-16(20(30)15-11-26-9-7-19(15)29)21(31)28-13-5-6-14(17(10-13)22(23,24)25)18-4-2-3-8-27-18/h2-12H,1H3,(H,28,31)
InChIKeyUVPXKUCCPFYUHG-UHFFFAOYSA-N
XLogP4.27
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.38
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-oxo-N-[4-pyridin-2-yl-3-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxamide?
The IUPAC name of 1-methyl-4-oxo-N-[4-pyridin-2-yl-3-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxamide (CID 57400588) is 1-methyl-4-oxo-N-[4-pyridin-2-yl-3-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-4-oxo-N-[4-pyridin-2-yl-3-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for 1-methyl-4-oxo-N-[4-pyridin-2-yl-3-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxamide is Cn1cc(C(=O)Nc2ccc(-c3ccccn3)c(C(F)(F)F)c2)c(=O)c2cnccc21.
What is the InChIKey of 1-methyl-4-oxo-N-[4-pyridin-2-yl-3-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxamide?
The InChIKey is UVPXKUCCPFYUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N4O2/c1-29-12-16(20(30)15-11-26-9-7-19(15)29)21(31)28-13-5-6-14(17(10-13)22(23,24)25)18-4-2-3-8-27-18/h2-12H,1H3,(H,28,31).
What are the key properties of 1-methyl-4-oxo-N-[4-pyridin-2-yl-3-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxamide?
1-methyl-4-oxo-N-[4-pyridin-2-yl-3-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxamide has a molecular weight of 424.38 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-oxo-N-[4-pyridin-2-yl-3-(trifluoromethyl)phenyl]-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 57400588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).