4-methyl-N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

C18H18F3N3O — CID 138996912

IUPAC4-methyl-N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESCC1CC(c2ccc(C(F)(F)F)cc2)N(C(=O)Nc2ccncc2)C1
InChIInChI=1S/C18H18F3N3O/c1-12-10-16(13-2-4-14(5-3-13)18(19,20)21)24(11-12)17(25)23-15-6-8-22-9-7-15/h2-9,12,16H,10-11H2,1H3,(H,22,23,25)
InChIKeyNZRSXERJELVYRD-UHFFFAOYSA-N
MW349.36 g/mol
LogP4.72
Rot. Bonds2

About 4-methyl-N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

4-methyl-N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 138996912) has the molecular formula C18H18F3N3O and a molecular weight of 349.36 g/mol. Its IUPAC name is 4-methyl-N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID138996912
Molecular FormulaC18H18F3N3O
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC Name4-methyl-N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
SMILESCC1CC(c2ccc(C(F)(F)F)cc2)N(C(=O)Nc2ccncc2)C1
InChIInChI=1S/C18H18F3N3O/c1-12-10-16(13-2-4-14(5-3-13)18(19,20)21)24(11-12)17(25)23-15-6-8-22-9-7-15/h2-9,12,16H,10-11H2,1H3,(H,22,23,25)
InChIKeyNZRSXERJELVYRD-UHFFFAOYSA-N
XLogP4.72
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 134009742
(2R)-2-methyl-3-oxo-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 95147672
tert-butyl (4S)-4-methyl-2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 172506899
2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993640
6-methyl-N-[4-(trifluoromethyl)phenyl]-1-azaspiro[2.5]octane-1-carboxamide
CID 155221379
2-methyl-N-[4-(trifluoromethyl)phenyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 11430396
4-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860907
pyridin-4-yl-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 110669976
N-(6-amino-5-methyl-3-pyridinyl)-2-[5-methyl-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-2-oxoacetamide
CID 164753690
(2S)-N-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 1028921
3-pyridin-4-yloxy-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 122255985
N-(4-propan-2-ylphenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
CID 3300468

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 4-methyl-N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide (CID 138996912) is 4-methyl-N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 4-methyl-N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is CC1CC(c2ccc(C(F)(F)F)cc2)N(C(=O)Nc2ccncc2)C1.
What is the InChIKey of 4-methyl-N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is NZRSXERJELVYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O/c1-12-10-16(13-2-4-14(5-3-13)18(19,20)21)24(11-12)17(25)23-15-6-8-22-9-7-15/h2-9,12,16H,10-11H2,1H3,(H,22,23,25).
What are the key properties of 4-methyl-N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide?
4-methyl-N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 349.36 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-pyridin-4-yl-2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 138996912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).