3-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide

C17H12F3N3O — CID 126505805

IUPAC3-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide
SMILESNC(=O)c1ccncc1Cc1ccc2ncc(C(F)(F)F)cc2c1
InChIInChI=1S/C17H12F3N3O/c18-17(19,20)13-7-11-5-10(1-2-15(11)23-9-13)6-12-8-22-4-3-14(12)16(21)24/h1-5,7-9H,6H2,(H2,21,24)
InChIKeyMUFNJDVDQPAVBH-UHFFFAOYSA-N
MW331.30 g/mol
LogP3.34
Rot. Bonds3

About 3-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide

3-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide (PubChem CID 126505805) has the molecular formula C17H12F3N3O and a molecular weight of 331.30 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide
PubChem CID126505805
Molecular FormulaC17H12F3N3O
Molecular Weight331.30 g/mol
Exact Mass331.09
IUPAC Name3-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide
SMILESNC(=O)c1ccncc1Cc1ccc2ncc(C(F)(F)F)cc2c1
InChIInChI=1S/C17H12F3N3O/c18-17(19,20)13-7-11-5-10(1-2-15(11)23-9-13)6-12-8-22-4-3-14(12)16(21)24/h1-5,7-9H,6H2,(H2,21,24)
InChIKeyMUFNJDVDQPAVBH-UHFFFAOYSA-N
XLogP3.34
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of 3-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide (CID 126505805) is 3-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide is NC(=O)c1ccncc1Cc1ccc2ncc(C(F)(F)F)cc2c1.
What is the InChIKey of 3-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide?
The InChIKey is MUFNJDVDQPAVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O/c18-17(19,20)13-7-11-5-10(1-2-15(11)23-9-13)6-12-8-22-4-3-14(12)16(21)24/h1-5,7-9H,6H2,(H2,21,24).
What are the key properties of 3-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide?
3-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide has a molecular weight of 331.30 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethyl)quinolin-6-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 126505805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).