N-[[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]methyl]pyridine-2-carboxamide;hydrochloride

C17H23ClF2N4O2 — CID 120955051

IUPACN-[[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]methyl]pyridine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCN(C(=O)C2CC(F)(F)CN2)CC1)c1ccccn1
InChIInChI=1S/C17H22F2N4O2.ClH/c18-17(19)9-14(22-11-17)16(25)23-7-4-12(5-8-23)10-21-15(24)13-3-1-2-6-20-13;/h1-3,6,12,14,22H,4-5,7-11H2,(H,21,24);1H
InChIKeyXBJLCUBENDFYMW-UHFFFAOYSA-N
MW388.85 g/mol
LogP1.47
Rot. Bonds4

About N-[[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]methyl]pyridine-2-carboxamide;hydrochloride

N-[[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]methyl]pyridine-2-carboxamide;hydrochloride (PubChem CID 120955051) has the molecular formula C17H23ClF2N4O2 and a molecular weight of 388.85 g/mol. Its IUPAC name is N-[[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]methyl]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]methyl]pyridine-2-carboxamide;hydrochloride
PubChem CID120955051
Molecular FormulaC17H23ClF2N4O2
Molecular Weight388.85 g/mol
Exact Mass388.15
IUPAC NameN-[[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]methyl]pyridine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCN(C(=O)C2CC(F)(F)CN2)CC1)c1ccccn1
InChIInChI=1S/C17H22F2N4O2.ClH/c18-17(19)9-14(22-11-17)16(25)23-7-4-12(5-8-23)10-21-15(24)13-3-1-2-6-20-13;/h1-3,6,12,14,22H,4-5,7-11H2,(H,21,24);1H
InChIKeyXBJLCUBENDFYMW-UHFFFAOYSA-N
XLogP1.47
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]methyl]pyridine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]methyl]pyridine-2-carboxamide;hydrochloride (CID 120955051) is N-[[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]methyl]pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]methyl]pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]methyl]pyridine-2-carboxamide;hydrochloride is Cl.O=C(NCC1CCN(C(=O)C2CC(F)(F)CN2)CC1)c1ccccn1.
What is the InChIKey of N-[[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]methyl]pyridine-2-carboxamide;hydrochloride?
The InChIKey is XBJLCUBENDFYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N4O2.ClH/c18-17(19)9-14(22-11-17)16(25)23-7-4-12(5-8-23)10-21-15(24)13-3-1-2-6-20-13;/h1-3,6,12,14,22H,4-5,7-11H2,(H,21,24);1H.
What are the key properties of N-[[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]methyl]pyridine-2-carboxamide;hydrochloride?
N-[[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]methyl]pyridine-2-carboxamide;hydrochloride has a molecular weight of 388.85 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]methyl]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120955051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).