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

C24H23F3N4O2 — CID 175681739

IUPACN-methyl-5-[1-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(C2=CCN(Cc3cnc4c(c3)CC(=O)C(C(F)(F)F)=C4C)CC2)cn1
InChIInChI=1S/C24H23F3N4O2/c1-14-21(24(25,26)27)20(32)10-18-9-15(11-30-22(14)18)13-31-7-5-16(6-8-31)17-3-4-19(29-12-17)23(33)28-2/h3-5,9,11-12H,6-8,10,13H2,1-2H3,(H,28,33)
InChIKeyGBLMKEGSKITKAH-UHFFFAOYSA-N
MW456.47 g/mol
LogP3.59
Rot. Bonds4

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

N-methyl-5-[1-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide (PubChem CID 175681739) has the molecular formula C24H23F3N4O2 and a molecular weight of 456.47 g/mol. Its IUPAC name is N-methyl-5-[1-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[1-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide
PubChem CID175681739
Molecular FormulaC24H23F3N4O2
Molecular Weight456.47 g/mol
Exact Mass456.18
IUPAC NameN-methyl-5-[1-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(C2=CCN(Cc3cnc4c(c3)CC(=O)C(C(F)(F)F)=C4C)CC2)cn1
InChIInChI=1S/C24H23F3N4O2/c1-14-21(24(25,26)27)20(32)10-18-9-15(11-30-22(14)18)13-31-7-5-16(6-8-31)17-3-4-19(29-12-17)23(33)28-2/h3-5,9,11-12H,6-8,10,13H2,1-2H3,(H,28,33)
InChIKeyGBLMKEGSKITKAH-UHFFFAOYSA-N
XLogP3.59
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-5-[1-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

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CID 10053205
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7-(3,5-Bis-trifluoromethyl-benzyl)-5-P-tolyl-8,9,10,11-tetrahydro-7H-1,7,11A-triaza-cycloocta[B]naphthalene-6,12-dione (atropisomeric mix)
CID 9855000

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[1-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-[1-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide (CID 175681739) is N-methyl-5-[1-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-[1-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-[1-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide is CNC(=O)c1ccc(C2=CCN(Cc3cnc4c(c3)CC(=O)C(C(F)(F)F)=C4C)CC2)cn1.
What is the InChIKey of N-methyl-5-[1-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide?
The InChIKey is GBLMKEGSKITKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O2/c1-14-21(24(25,26)27)20(32)10-18-9-15(11-30-22(14)18)13-31-7-5-16(6-8-31)17-3-4-19(29-12-17)23(33)28-2/h3-5,9,11-12H,6-8,10,13H2,1-2H3,(H,28,33).
What are the key properties of N-methyl-5-[1-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide?
N-methyl-5-[1-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide has a molecular weight of 456.47 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[1-[[8-methyl-6-oxo-7-(trifluoromethyl)-5H-quinolin-3-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 175681739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).