N-methyl-5-[3-methyl-4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide

C24H26F3N5O2 — CID 175681736

IUPACN-methyl-5-[3-methyl-4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)CC(=O)C(C(F)(F)F)=C4C)C(C)C2)cn1
InChIInChI=1S/C24H26F3N5O2/c1-14-12-32(18-4-5-19(29-11-18)23(34)28-3)7-6-31(14)13-16-8-17-9-20(33)21(24(25,26)27)15(2)22(17)30-10-16/h4-5,8,10-11,14H,6-7,9,12-13H2,1-3H3,(H,28,34)
InChIKeyBYRSMXQNHWADRE-UHFFFAOYSA-N
MW473.50 g/mol
LogP3.01
Rot. Bonds4

About N-methyl-5-[3-methyl-4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide

N-methyl-5-[3-methyl-4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 175681736) has the molecular formula C24H26F3N5O2 and a molecular weight of 473.50 g/mol. Its IUPAC name is N-methyl-5-[3-methyl-4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[3-methyl-4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide
PubChem CID175681736
Molecular FormulaC24H26F3N5O2
Molecular Weight473.50 g/mol
Exact Mass473.20
IUPAC NameN-methyl-5-[3-methyl-4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)CC(=O)C(C(F)(F)F)=C4C)C(C)C2)cn1
InChIInChI=1S/C24H26F3N5O2/c1-14-12-32(18-4-5-19(29-11-18)23(34)28-3)7-6-31(14)13-16-8-17-9-20(33)21(24(25,26)27)15(2)22(17)30-10-16/h4-5,8,10-11,14H,6-7,9,12-13H2,1-3H3,(H,28,34)
InChIKeyBYRSMXQNHWADRE-UHFFFAOYSA-N
XLogP3.01
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[3-methyl-4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-[3-methyl-4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide (CID 175681736) is N-methyl-5-[3-methyl-4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-[3-methyl-4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-[3-methyl-4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide is CNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)CC(=O)C(C(F)(F)F)=C4C)C(C)C2)cn1.
What is the InChIKey of N-methyl-5-[3-methyl-4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is BYRSMXQNHWADRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O2/c1-14-12-32(18-4-5-19(29-11-18)23(34)28-3)7-6-31(14)13-16-8-17-9-20(33)21(24(25,26)27)15(2)22(17)30-10-16/h4-5,8,10-11,14H,6-7,9,12-13H2,1-3H3,(H,28,34).
What are the key properties of N-methyl-5-[3-methyl-4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide?
N-methyl-5-[3-methyl-4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 473.50 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[3-methyl-4-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 175681736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).