N-[4-methyl-3-(1-methyl-2-oxo-7-pyridin-2-yl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide

C29H21F3N4O2 — CID 24952769

IUPACN-[4-methyl-3-(1-methyl-2-oxo-7-pyridin-2-yl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc2cnc(-c3ccccn3)cc2n(C)c1=O
InChIInChI=1S/C29H21F3N4O2/c1-17-9-10-21(35-27(37)18-6-5-7-20(12-18)29(30,31)32)14-22(17)23-13-19-16-34-25(24-8-3-4-11-33-24)15-26(19)36(2)28(23)38/h3-16H,1-2H3,(H,35,37)
InChIKeyGRSQHSVSLAZEDZ-UHFFFAOYSA-N
MW514.51 g/mol
LogP6.24
Rot. Bonds4

About N-[4-methyl-3-(1-methyl-2-oxo-7-pyridin-2-yl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide

N-[4-methyl-3-(1-methyl-2-oxo-7-pyridin-2-yl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 24952769) has the molecular formula C29H21F3N4O2 and a molecular weight of 514.51 g/mol. Its IUPAC name is N-[4-methyl-3-(1-methyl-2-oxo-7-pyridin-2-yl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-(1-methyl-2-oxo-7-pyridin-2-yl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID24952769
Molecular FormulaC29H21F3N4O2
Molecular Weight514.51 g/mol
Exact Mass514.16
IUPAC NameN-[4-methyl-3-(1-methyl-2-oxo-7-pyridin-2-yl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc2cnc(-c3ccccn3)cc2n(C)c1=O
InChIInChI=1S/C29H21F3N4O2/c1-17-9-10-21(35-27(37)18-6-5-7-20(12-18)29(30,31)32)14-22(17)23-13-19-16-34-25(24-8-3-4-11-33-24)15-26(19)36(2)28(23)38/h3-16H,1-2H3,(H,35,37)
InChIKeyGRSQHSVSLAZEDZ-UHFFFAOYSA-N
XLogP6.24
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.51
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(1-methyl-2-oxo-7-pyridin-2-yl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-methyl-3-(1-methyl-2-oxo-7-pyridin-2-yl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide (CID 24952769) is N-[4-methyl-3-(1-methyl-2-oxo-7-pyridin-2-yl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-methyl-3-(1-methyl-2-oxo-7-pyridin-2-yl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-methyl-3-(1-methyl-2-oxo-7-pyridin-2-yl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc2cnc(-c3ccccn3)cc2n(C)c1=O.
What is the InChIKey of N-[4-methyl-3-(1-methyl-2-oxo-7-pyridin-2-yl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is GRSQHSVSLAZEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21F3N4O2/c1-17-9-10-21(35-27(37)18-6-5-7-20(12-18)29(30,31)32)14-22(17)23-13-19-16-34-25(24-8-3-4-11-33-24)15-26(19)36(2)28(23)38/h3-16H,1-2H3,(H,35,37).
What are the key properties of N-[4-methyl-3-(1-methyl-2-oxo-7-pyridin-2-yl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide?
N-[4-methyl-3-(1-methyl-2-oxo-7-pyridin-2-yl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 514.51 g/mol, XLogP of 6.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(1-methyl-2-oxo-7-pyridin-2-yl-1,6-naphthyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 24952769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).