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

C24H26F3N5O2 — CID 175681749

IUPACN-methyl-5-[4-[(1S)-1-[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]ethyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN([C@@H](C)c3cnc4c(c3)CC(=O)C(C(F)(F)F)=C4C)CC2)cn1
InChIInChI=1S/C24H26F3N5O2/c1-14-21(24(25,26)27)20(33)11-16-10-17(12-30-22(14)16)15(2)31-6-8-32(9-7-31)18-4-5-19(29-13-18)23(34)28-3/h4-5,10,12-13,15H,6-9,11H2,1-3H3,(H,28,34)/t15-/m0/s1
InChIKeyPGBUQQYUSVCUJI-HNNXBMFYSA-N
MW473.50 g/mol
LogP3.18
Rot. Bonds4

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

N-methyl-5-[4-[(1S)-1-[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]ethyl]piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 175681749) has the molecular formula C24H26F3N5O2 and a molecular weight of 473.50 g/mol. Its IUPAC name is N-methyl-5-[4-[(1S)-1-[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]ethyl]piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[4-[(1S)-1-[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]ethyl]piperazin-1-yl]pyridine-2-carboxamide
PubChem CID175681749
Molecular FormulaC24H26F3N5O2
Molecular Weight473.50 g/mol
Exact Mass473.20
IUPAC NameN-methyl-5-[4-[(1S)-1-[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]ethyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN([C@@H](C)c3cnc4c(c3)CC(=O)C(C(F)(F)F)=C4C)CC2)cn1
InChIInChI=1S/C24H26F3N5O2/c1-14-21(24(25,26)27)20(33)11-16-10-17(12-30-22(14)16)15(2)31-6-8-32(9-7-31)18-4-5-19(29-13-18)23(34)28-3/h4-5,10,12-13,15H,6-9,11H2,1-3H3,(H,28,34)/t15-/m0/s1
InChIKeyPGBUQQYUSVCUJI-HNNXBMFYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[4-[(1S)-1-[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]ethyl]piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-[4-[(1S)-1-[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]ethyl]piperazin-1-yl]pyridine-2-carboxamide (CID 175681749) is N-methyl-5-[4-[(1S)-1-[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]ethyl]piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-[4-[(1S)-1-[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]ethyl]piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-[4-[(1S)-1-[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]ethyl]piperazin-1-yl]pyridine-2-carboxamide is CNC(=O)c1ccc(N2CCN([C@@H](C)c3cnc4c(c3)CC(=O)C(C(F)(F)F)=C4C)CC2)cn1.
What is the InChIKey of N-methyl-5-[4-[(1S)-1-[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]ethyl]piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is PGBUQQYUSVCUJI-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H26F3N5O2/c1-14-21(24(25,26)27)20(33)11-16-10-17(12-30-22(14)16)15(2)31-6-8-32(9-7-31)18-4-5-19(29-13-18)23(34)28-3/h4-5,10,12-13,15H,6-9,11H2,1-3H3,(H,28,34)/t15-/m0/s1.
What are the key properties of N-methyl-5-[4-[(1S)-1-[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]ethyl]piperazin-1-yl]pyridine-2-carboxamide?
N-methyl-5-[4-[(1S)-1-[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]ethyl]piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 473.50 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[4-[(1S)-1-[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]ethyl]piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 175681749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).