4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide

C18H18F3N3O — CID 121142844

IUPAC4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
SMILESCc1ccc(C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)C2)cc1
InChIInChI=1S/C18H18F3N3O/c1-12-2-4-13(5-3-12)17(25)23-15-8-9-24(11-15)16-7-6-14(10-22-16)18(19,20)21/h2-7,10,15H,8-9,11H2,1H3,(H,23,25)
InChIKeyVGGLYPKRUMYOLB-UHFFFAOYSA-N
MW349.36 g/mol
LogP3.42
Rot. Bonds3

About 4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide

4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide (PubChem CID 121142844) has the molecular formula C18H18F3N3O and a molecular weight of 349.36 g/mol. Its IUPAC name is 4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
PubChem CID121142844
Molecular FormulaC18H18F3N3O
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC Name4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
SMILESCc1ccc(C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)C2)cc1
InChIInChI=1S/C18H18F3N3O/c1-12-2-4-13(5-3-12)17(25)23-15-8-9-24(11-15)16-7-6-14(10-22-16)18(19,20)21/h2-7,10,15H,8-9,11H2,1H3,(H,23,25)
InChIKeyVGGLYPKRUMYOLB-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142833
4-propyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142595
4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049
2,2-dimethyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 124760927
5-bromo-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 124892505
2-chloro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142758
2-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142573
2,3-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]quinoxaline-6-carboxamide
CID 55708584
tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate
CID 67001614
5-chloro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]thiophene-2-carboxamide
CID 121142594
N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
CID 47282597
3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 120549268

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide?
The IUPAC name of 4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide (CID 121142844) is 4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide is Cc1ccc(C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)C2)cc1.
What is the InChIKey of 4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide?
The InChIKey is VGGLYPKRUMYOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O/c1-12-2-4-13(5-3-12)17(25)23-15-8-9-24(11-15)16-7-6-14(10-22-16)18(19,20)21/h2-7,10,15H,8-9,11H2,1H3,(H,23,25).
What are the key properties of 4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide?
4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide has a molecular weight of 349.36 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 121142844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).