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

C23H16F3N3O — CID 42749444

IUPAC2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C23H16F3N3O/c24-23(25,26)17-5-3-4-15(12-17)14-28-22(30)19-13-21(16-8-10-27-11-9-16)29-20-7-2-1-6-18(19)20/h1-13H,14H2,(H,28,30)
InChIKeyKBQZDMVZXHHZAY-UHFFFAOYSA-N
MW407.40 g/mol
LogP5.25
Rot. Bonds4

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

2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide (PubChem CID 42749444) has the molecular formula C23H16F3N3O and a molecular weight of 407.40 g/mol. Its IUPAC name is 2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
PubChem CID42749444
Molecular FormulaC23H16F3N3O
Molecular Weight407.40 g/mol
Exact Mass407.12
IUPAC Name2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C23H16F3N3O/c24-23(25,26)17-5-3-4-15(12-17)14-28-22(30)19-13-21(16-8-10-27-11-9-16)29-20-7-2-1-6-18(19)20/h1-13H,14H2,(H,28,30)
InChIKeyKBQZDMVZXHHZAY-UHFFFAOYSA-N
XLogP5.25
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.40
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
2-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 42749577
N-[(3-carbamoylphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 32636581
2-(furan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 42749451
N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 46539313
2-(pyridin-3-ylmethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 117090190
N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082729
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 26132145
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
2-(4-ethylphenyl)-N-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 2163462
2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 2666564
N-(furan-2-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3241370

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide?
The IUPAC name of 2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide (CID 42749444) is 2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of 2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide?
The InChIKey is KBQZDMVZXHHZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O/c24-23(25,26)17-5-3-4-15(12-17)14-28-22(30)19-13-21(16-8-10-27-11-9-16)29-20-7-2-1-6-18(19)20/h1-13H,14H2,(H,28,30).
What are the key properties of 2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide?
2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide has a molecular weight of 407.40 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide is sourced from PubChem (CID 42749444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).