5-[4-(cyclopropylcarbamoyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

C24H20F3N3O2 — CID 117088284

IUPAC5-[4-(cyclopropylcarbamoyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cncc(-c2ccc(C(=O)NC3CC3)cc2)c1
InChIInChI=1S/C24H20F3N3O2/c25-24(26,27)20-3-1-2-15(10-20)12-29-22(31)19-11-18(13-28-14-19)16-4-6-17(7-5-16)23(32)30-21-8-9-21/h1-7,10-11,13-14,21H,8-9,12H2,(H,29,31)(H,30,32)
InChIKeyWIGMCVNLMBYLEM-UHFFFAOYSA-N
MW439.44 g/mol
LogP4.59
Rot. Bonds6

About 5-[4-(cyclopropylcarbamoyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

5-[4-(cyclopropylcarbamoyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 117088284) has the molecular formula C24H20F3N3O2 and a molecular weight of 439.44 g/mol. Its IUPAC name is 5-[4-(cyclopropylcarbamoyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(cyclopropylcarbamoyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID117088284
Molecular FormulaC24H20F3N3O2
Molecular Weight439.44 g/mol
Exact Mass439.15
IUPAC Name5-[4-(cyclopropylcarbamoyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cncc(-c2ccc(C(=O)NC3CC3)cc2)c1
InChIInChI=1S/C24H20F3N3O2/c25-24(26,27)20-3-1-2-15(10-20)12-29-22(31)19-11-18(13-28-14-19)16-4-6-17(7-5-16)23(32)30-21-8-9-21/h1-7,10-11,13-14,21H,8-9,12H2,(H,29,31)(H,30,32)
InChIKeyWIGMCVNLMBYLEM-UHFFFAOYSA-N
XLogP4.59
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.44
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-aminophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 117087550
N-cyclopropyl-5-(4-phenylphenyl)pyridine-3-carboxamide
CID 42845850
N-benzyl-3-[4-(cyclopropylcarbamoyl)phenyl]benzamide
CID 117087146
4-benzamido-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboxamide
CID 127163779
4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 107020234
2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 74246545
N-[(3-fluorophenyl)methyl]-5-(4-hydroxyphenyl)pyridine-3-carboxamide;methane
CID 159549428
5-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 53020754
4-cyano-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 18291756
4-(dimethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 27515025
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
1-N-cyclopropyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043396

Frequently Asked Questions

What is the IUPAC name of 5-[4-(cyclopropylcarbamoyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 5-[4-(cyclopropylcarbamoyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (CID 117088284) is 5-[4-(cyclopropylcarbamoyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(cyclopropylcarbamoyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[4-(cyclopropylcarbamoyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)c1cncc(-c2ccc(C(=O)NC3CC3)cc2)c1.
What is the InChIKey of 5-[4-(cyclopropylcarbamoyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is WIGMCVNLMBYLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O2/c25-24(26,27)20-3-1-2-15(10-20)12-29-22(31)19-11-18(13-28-14-19)16-4-6-17(7-5-16)23(32)30-21-8-9-21/h1-7,10-11,13-14,21H,8-9,12H2,(H,29,31)(H,30,32).
What are the key properties of 5-[4-(cyclopropylcarbamoyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
5-[4-(cyclopropylcarbamoyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 439.44 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(cyclopropylcarbamoyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 117088284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).