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

C30H23F3N4O2 — CID 24952424

IUPACN-[4-methyl-3-[1-methyl-2-oxo-7-(pyridin-3-ylmethyl)-1,6-naphthyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc2cnc(Cc3cccnc3)cc2n(C)c1=O
InChIInChI=1S/C30H23F3N4O2/c1-18-8-9-23(36-28(38)20-6-3-7-22(12-20)30(31,32)33)14-25(18)26-13-21-17-35-24(11-19-5-4-10-34-16-19)15-27(21)37(2)29(26)39/h3-10,12-17H,11H2,1-2H3,(H,36,38)
InChIKeyLLQQOGMQURTERB-UHFFFAOYSA-N
MW528.53 g/mol
LogP6.17
Rot. Bonds5

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

N-[4-methyl-3-[1-methyl-2-oxo-7-(pyridin-3-ylmethyl)-1,6-naphthyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 24952424) has the molecular formula C30H23F3N4O2 and a molecular weight of 528.53 g/mol. Its IUPAC name is N-[4-methyl-3-[1-methyl-2-oxo-7-(pyridin-3-ylmethyl)-1,6-naphthyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-methyl-3-[1-methyl-2-oxo-7-(pyridin-3-ylmethyl)-1,6-naphthyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID24952424
Molecular FormulaC30H23F3N4O2
Molecular Weight528.53 g/mol
Exact Mass528.18
IUPAC NameN-[4-methyl-3-[1-methyl-2-oxo-7-(pyridin-3-ylmethyl)-1,6-naphthyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc2cnc(Cc3cccnc3)cc2n(C)c1=O
InChIInChI=1S/C30H23F3N4O2/c1-18-8-9-23(36-28(38)20-6-3-7-22(12-20)30(31,32)33)14-25(18)26-13-21-17-35-24(11-19-5-4-10-34-16-19)15-27(21)37(2)29(26)39/h3-10,12-17H,11H2,1-2H3,(H,36,38)
InChIKeyLLQQOGMQURTERB-UHFFFAOYSA-N
XLogP6.17
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.53
LogP ≤ 56.17
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-3-ylmethyl)-1,6-naphthyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-methyl-3-[1-methyl-2-oxo-7-(pyridin-3-ylmethyl)-1,6-naphthyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide (CID 24952424) is N-[4-methyl-3-[1-methyl-2-oxo-7-(pyridin-3-ylmethyl)-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-3-ylmethyl)-1,6-naphthyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-methyl-3-[1-methyl-2-oxo-7-(pyridin-3-ylmethyl)-1,6-naphthyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc2cnc(Cc3cccnc3)cc2n(C)c1=O.
What is the InChIKey of N-[4-methyl-3-[1-methyl-2-oxo-7-(pyridin-3-ylmethyl)-1,6-naphthyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is LLQQOGMQURTERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F3N4O2/c1-18-8-9-23(36-28(38)20-6-3-7-22(12-20)30(31,32)33)14-25(18)26-13-21-17-35-24(11-19-5-4-10-34-16-19)15-27(21)37(2)29(26)39/h3-10,12-17H,11H2,1-2H3,(H,36,38).
What are the key properties of N-[4-methyl-3-[1-methyl-2-oxo-7-(pyridin-3-ylmethyl)-1,6-naphthyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide?
N-[4-methyl-3-[1-methyl-2-oxo-7-(pyridin-3-ylmethyl)-1,6-naphthyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 528.53 g/mol, XLogP of 6.17, 5 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-3-ylmethyl)-1,6-naphthyridin-3-yl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 24952424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).