6-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide

C19H20F3N3O2 — CID 117088422

IUPAC6-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cccc(N2CCCC2CO)n1
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)14-5-1-4-13(10-14)11-23-18(27)16-7-2-8-17(24-16)25-9-3-6-15(25)12-26/h1-2,4-5,7-8,10,15,26H,3,6,9,11-12H2,(H,23,27)
InChIKeyJCAWYZAQZXHDJA-UHFFFAOYSA-N
MW379.38 g/mol
LogP2.99
Rot. Bonds5

About 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide

6-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide (PubChem CID 117088422) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide
PubChem CID117088422
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC Name6-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cccc(N2CCCC2CO)n1
InChIInChI=1S/C19H20F3N3O2/c20-19(21,22)14-5-1-4-13(10-14)11-23-18(27)16-7-2-8-17(24-16)25-9-3-6-15(25)12-26/h1-2,4-5,7-8,10,15,26H,3,6,9,11-12H2,(H,23,27)
InChIKeyJCAWYZAQZXHDJA-UHFFFAOYSA-N
XLogP2.99
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylpyridine-2-carboxamide
CID 117092889
7-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 24536944
2-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 117087020
1,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 35763919
2-(2-cyclopropyl-2-oxoethyl)-6-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-4-carboxamide
CID 157486902
1-(4-methylphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 26241503
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
5-ethyl-12-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
CID 91907548
N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 27515082
1-N-[4-(diethylamino)-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]-3-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 123772078
N-benzyl-2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1,3-thiazole-5-carboxamide
CID 117082113
6-[(1-methylbenzimidazol-2-yl)amino]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide
CID 117084576

Frequently Asked Questions

What is the IUPAC name of 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide (CID 117088422) is 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)c1cccc(N2CCCC2CO)n1.
What is the InChIKey of 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is JCAWYZAQZXHDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c20-19(21,22)14-5-1-4-13(10-14)11-23-18(27)16-7-2-8-17(24-16)25-9-3-6-15(25)12-26/h1-2,4-5,7-8,10,15,26H,3,6,9,11-12H2,(H,23,27).
What are the key properties of 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide?
6-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 379.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 117088422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).