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

C20H22F3N3O — CID 121142595

IUPAC4-propyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
SMILESCCCc1ccc(C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)C2)cc1
InChIInChI=1S/C20H22F3N3O/c1-2-3-14-4-6-15(7-5-14)19(27)25-17-10-11-26(13-17)18-9-8-16(12-24-18)20(21,22)23/h4-9,12,17H,2-3,10-11,13H2,1H3,(H,25,27)
InChIKeyVRJCZPALDDOFPM-UHFFFAOYSA-N
MW377.41 g/mol
LogP4.06
Rot. Bonds5

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

4-propyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide (PubChem CID 121142595) has the molecular formula C20H22F3N3O and a molecular weight of 377.41 g/mol. Its IUPAC name is 4-propyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name4-propyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
PubChem CID121142595
Molecular FormulaC20H22F3N3O
Molecular Weight377.41 g/mol
Exact Mass377.17
IUPAC Name4-propyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
SMILESCCCc1ccc(C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)C2)cc1
InChIInChI=1S/C20H22F3N3O/c1-2-3-14-4-6-15(7-5-14)19(27)25-17-10-11-26(13-17)18-9-8-16(12-24-18)20(21,22)23/h4-9,12,17H,2-3,10-11,13H2,1H3,(H,25,27)
InChIKeyVRJCZPALDDOFPM-UHFFFAOYSA-N
XLogP4.06
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142844
4-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142833
4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049
3-(4-bromophenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 121142698
3-(3,4-dimethylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 121142717
5-bromo-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 124892505
2,2-dimethyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 124760927
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
3-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 121142708
tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate
CID 67001614
2-(4-propan-2-ylsulfanylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide
CID 121142641

Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide?
The IUPAC name of 4-propyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide (CID 121142595) is 4-propyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 4-propyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide?
The canonical SMILES for 4-propyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide is CCCc1ccc(C(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)C2)cc1.
What is the InChIKey of 4-propyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide?
The InChIKey is VRJCZPALDDOFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O/c1-2-3-14-4-6-15(7-5-14)19(27)25-17-10-11-26(13-17)18-9-8-16(12-24-18)20(21,22)23/h4-9,12,17H,2-3,10-11,13H2,1H3,(H,25,27).
What are the key properties of 4-propyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide?
4-propyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide has a molecular weight of 377.41 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 121142595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).