2-(3-methylpyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide

C18H18F3N3O — CID 122149926

IUPAC2-(3-methylpyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESCC1CCN(c2cc(C(=O)Nc3ccccc3C(F)(F)F)ccn2)C1
InChIInChI=1S/C18H18F3N3O/c1-12-7-9-24(11-12)16-10-13(6-8-22-16)17(25)23-15-5-3-2-4-14(15)18(19,20)21/h2-6,8,10,12H,7,9,11H2,1H3,(H,23,25)
InChIKeyNFQNNNOMBYWWPJ-UHFFFAOYSA-N
MW349.36 g/mol
LogP4.20
Rot. Bonds3

About 2-(3-methylpyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide

2-(3-methylpyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide (PubChem CID 122149926) has the molecular formula C18H18F3N3O and a molecular weight of 349.36 g/mol. Its IUPAC name is 2-(3-methylpyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3-methylpyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
PubChem CID122149926
Molecular FormulaC18H18F3N3O
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC Name2-(3-methylpyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
SMILESCC1CCN(c2cc(C(=O)Nc3ccccc3C(F)(F)F)ccn2)C1
InChIInChI=1S/C18H18F3N3O/c1-12-7-9-24(11-12)16-10-13(6-8-22-16)17(25)23-15-5-3-2-4-14(15)18(19,20)21/h2-6,8,10,12H,7,9,11H2,1H3,(H,23,25)
InChIKeyNFQNNNOMBYWWPJ-UHFFFAOYSA-N
XLogP4.20
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109161705
N-(2-bromophenyl)-2-(4-methylpiperidin-1-yl)pyridine-4-carboxamide
CID 109166535
2-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109312704
2-(3-methylpyrrolidin-1-yl)-N-(2H-triazol-4-yl)pyridine-4-carboxamide
CID 166256636
N-(3-acetamidophenyl)-2-(3-methylpiperidin-1-yl)pyridine-4-carboxamide
CID 109175784
2-(cyclohexylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109166365
2-(3-methylpyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyridine-4-carboxamide;dihydrochloride
CID 120811376
N-(2,5-dimethoxyphenyl)-2-(3-methylpiperidin-1-yl)pyridine-4-carboxamide
CID 109175778
4-N-(2-methylphenyl)-2-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109091026
2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109176395
N-(2-tert-butylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109218225
N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756505

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(3-methylpyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide (CID 122149926) is 2-(3-methylpyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(3-methylpyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(3-methylpyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide is CC1CCN(c2cc(C(=O)Nc3ccccc3C(F)(F)F)ccn2)C1.
What is the InChIKey of 2-(3-methylpyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
The InChIKey is NFQNNNOMBYWWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O/c1-12-7-9-24(11-12)16-10-13(6-8-22-16)17(25)23-15-5-3-2-4-14(15)18(19,20)21/h2-6,8,10,12H,7,9,11H2,1H3,(H,23,25).
What are the key properties of 2-(3-methylpyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide?
2-(3-methylpyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide has a molecular weight of 349.36 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrrolidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 122149926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).