2-(pyridin-3-ylmethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide

C24H19F3N4O — CID 117090190

IUPAC2-(pyridin-3-ylmethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cc(NCc2cccnc2)nc2ccccc12
InChIInChI=1S/C24H19F3N4O/c25-24(26,27)18-7-3-5-16(11-18)14-30-23(32)20-12-22(29-15-17-6-4-10-28-13-17)31-21-9-2-1-8-19(20)21/h1-13H,14-15H2,(H,29,31)(H,30,32)
InChIKeySODJISSDWNVVGL-UHFFFAOYSA-N
MW436.44 g/mol
LogP5.19
Rot. Bonds6

About 2-(pyridin-3-ylmethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide

2-(pyridin-3-ylmethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide (PubChem CID 117090190) has the molecular formula C24H19F3N4O and a molecular weight of 436.44 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(pyridin-3-ylmethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
PubChem CID117090190
Molecular FormulaC24H19F3N4O
Molecular Weight436.44 g/mol
Exact Mass436.15
IUPAC Name2-(pyridin-3-ylmethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cc(NCc2cccnc2)nc2ccccc12
InChIInChI=1S/C24H19F3N4O/c25-24(26,27)18-7-3-5-16(11-18)14-30-23(32)20-12-22(29-15-17-6-4-10-28-13-17)31-21-9-2-1-8-19(20)21/h1-13H,14-15H2,(H,29,31)(H,30,32)
InChIKeySODJISSDWNVVGL-UHFFFAOYSA-N
XLogP5.19
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.44
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide
CID 117090770
2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 42749444
N-(pyridin-3-ylmethyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide
CID 46090819
N-(2-phenoxyethyl)-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide
CID 117090736
2-(furan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 42749451
2-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 42749577
N-benzyl-2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]quinoline-4-carboxamide
CID 24776657
[6-(pyridin-3-ylmethylamino)pyridazin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 134539241
N-(pyridin-3-ylmethyl)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 2336757
4-methyl-N-(pyridin-3-ylmethyl)quinolin-2-amine
CID 772620
N-[(3-carbamoylphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 32636575
6-(pyridin-3-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109157892

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylmethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide?
The IUPAC name of 2-(pyridin-3-ylmethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide (CID 117090190) is 2-(pyridin-3-ylmethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(pyridin-3-ylmethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(pyridin-3-ylmethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)c1cc(NCc2cccnc2)nc2ccccc12.
What is the InChIKey of 2-(pyridin-3-ylmethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide?
The InChIKey is SODJISSDWNVVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O/c25-24(26,27)18-7-3-5-16(11-18)14-30-23(32)20-12-22(29-15-17-6-4-10-28-13-17)31-21-9-2-1-8-19(20)21/h1-13H,14-15H2,(H,29,31)(H,30,32).
What are the key properties of 2-(pyridin-3-ylmethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide?
2-(pyridin-3-ylmethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide has a molecular weight of 436.44 g/mol, XLogP of 5.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylmethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide is sourced from PubChem (CID 117090190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).