3-cyclohexyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide

C19H26F3N3O — CID 121142589

IUPAC3-cyclohexyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
SMILESO=C(CCC1CCCCC1)NC1CCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C19H26F3N3O/c20-19(21,22)15-7-8-17(23-12-15)25-11-10-16(13-25)24-18(26)9-6-14-4-2-1-3-5-14/h7-8,12,14,16H,1-6,9-11,13H2,(H,24,26)
InChIKeyZCWOCMQZHLNLCU-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.16
Rot. Bonds5

About 3-cyclohexyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide

3-cyclohexyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide (PubChem CID 121142589) has the molecular formula C19H26F3N3O and a molecular weight of 369.43 g/mol. Its IUPAC name is 3-cyclohexyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
PubChem CID121142589
Molecular FormulaC19H26F3N3O
Molecular Weight369.43 g/mol
Exact Mass369.20
IUPAC Name3-cyclohexyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
SMILESO=C(CCC1CCCCC1)NC1CCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C19H26F3N3O/c20-19(21,22)15-7-8-17(23-12-15)25-11-10-16(13-25)24-18(26)9-6-14-4-2-1-3-5-14/h7-8,12,14,16H,1-6,9-11,13H2,(H,24,26)
InChIKeyZCWOCMQZHLNLCU-UHFFFAOYSA-N
XLogP4.16
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 121142698
3-cyclohexyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)propanamide
CID 90621185
3-(3,4-dimethylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 121142717
2,2-dimethyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 124760927
3-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 121142708
4-(1,3-dioxoisoindol-2-yl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]butanamide
CID 121142788
2-pyrazol-1-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide
CID 121142764
N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
CID 47282597
3-[(2-fluorophenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 121142673
4-propyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142595
4-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142844
tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate
CID 67001614

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide (CID 121142589) is 3-cyclohexyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide is O=C(CCC1CCCCC1)NC1CCN(c2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 3-cyclohexyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide?
The InChIKey is ZCWOCMQZHLNLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O/c20-19(21,22)15-7-8-17(23-12-15)25-11-10-16(13-25)24-18(26)9-6-14-4-2-1-3-5-14/h7-8,12,14,16H,1-6,9-11,13H2,(H,24,26).
What are the key properties of 3-cyclohexyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide?
3-cyclohexyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide has a molecular weight of 369.43 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 121142589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).