5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-6-(trifluoromethyl)pyridine-2-carboxamide

C23H25F3N6O2 — CID 164885431

IUPAC5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCC1C=c2ncc(CN3CCN(c4ccc(C(=O)NC)nc4C(F)(F)F)CC3)cc2=NC1=O
InChIInChI=1S/C23H25F3N6O2/c1-3-15-11-17-18(30-21(15)33)10-14(12-28-17)13-31-6-8-32(9-7-31)19-5-4-16(22(34)27-2)29-20(19)23(24,25)26/h4-5,10-12,15H,3,6-9,13H2,1-2H3,(H,27,34)
InChIKeyONQJCSJKJKVRBG-UHFFFAOYSA-N
MW474.49 g/mol
LogP1.14
Rot. Bonds5

About 5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-6-(trifluoromethyl)pyridine-2-carboxamide

5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 164885431) has the molecular formula C23H25F3N6O2 and a molecular weight of 474.49 g/mol. Its IUPAC name is 5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID164885431
Molecular FormulaC23H25F3N6O2
Molecular Weight474.49 g/mol
Exact Mass474.20
IUPAC Name5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCC1C=c2ncc(CN3CCN(c4ccc(C(=O)NC)nc4C(F)(F)F)CC3)cc2=NC1=O
InChIInChI=1S/C23H25F3N6O2/c1-3-15-11-17-18(30-21(15)33)10-14(12-28-17)13-31-6-8-32(9-7-31)19-5-4-16(22(34)27-2)29-20(19)23(24,25)26/h4-5,10-12,15H,3,6-9,13H2,1-2H3,(H,27,34)
InChIKeyONQJCSJKJKVRBG-UHFFFAOYSA-N
XLogP1.14
TPSA90.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.49
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-6-(trifluoromethyl)pyridine-2-carboxamide (CID 164885431) is 5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-6-(trifluoromethyl)pyridine-2-carboxamide is CCC1C=c2ncc(CN3CCN(c4ccc(C(=O)NC)nc4C(F)(F)F)CC3)cc2=NC1=O.
What is the InChIKey of 5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is ONQJCSJKJKVRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N6O2/c1-3-15-11-17-18(30-21(15)33)10-14(12-28-17)13-31-6-8-32(9-7-31)19-5-4-16(22(34)27-2)29-20(19)23(24,25)26/h4-5,10-12,15H,3,6-9,13H2,1-2H3,(H,27,34).
What are the key properties of 5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-6-(trifluoromethyl)pyridine-2-carboxamide?
5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 474.49 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(7-ethyl-6-oxo-7H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 164885431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).