1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride

C16H21Cl2F3N4O — CID 119453373

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C16H20ClF3N4O.ClH/c17-13-7-11(16(18,19)20)8-22-14(13)24-5-2-10(3-6-24)15(25)23-12-1-4-21-9-12;/h7-8,10,12,21H,1-6,9H2,(H,23,25);1H
InChIKeyOPOHJRXEJMUFLT-UHFFFAOYSA-N
MW413.27 g/mol
LogP2.87
Rot. Bonds3

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 119453373) has the molecular formula C16H21Cl2F3N4O and a molecular weight of 413.27 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID119453373
Molecular FormulaC16H21Cl2F3N4O
Molecular Weight413.27 g/mol
Exact Mass412.10
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NC1CCNC1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C16H20ClF3N4O.ClH/c17-13-7-11(16(18,19)20)8-22-14(13)24-5-2-10(3-6-24)15(25)23-12-1-4-21-9-12;/h7-8,10,12,21H,1-6,9H2,(H,23,25);1H
InChIKeyOPOHJRXEJMUFLT-UHFFFAOYSA-N
XLogP2.87
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.27
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride (CID 119453373) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride is Cl.O=C(NC1CCNC1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is OPOHJRXEJMUFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClF3N4O.ClH/c17-13-7-11(16(18,19)20)8-22-14(13)24-5-2-10(3-6-24)15(25)23-12-1-4-21-9-12;/h7-8,10,12,21H,1-6,9H2,(H,23,25);1H.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 413.27 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-pyrrolidin-3-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119453373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).