6-fluoro-5-piperidin-4-yloxy-N-pyrrolidin-1-ylpyridine-2-carboxamide;dihydrochloride

C15H23Cl2FN4O2 — CID 178132053

IUPAC6-fluoro-5-piperidin-4-yloxy-N-pyrrolidin-1-ylpyridine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NN1CCCC1)c1ccc(OC2CCNCC2)c(F)n1
InChIInChI=1S/C15H21FN4O2.2ClH/c16-14-13(22-11-5-7-17-8-6-11)4-3-12(18-14)15(21)19-20-9-1-2-10-20;;/h3-4,11,17H,1-2,5-10H2,(H,19,21);2*1H
InChIKeyXMXDDEDUUYYARD-UHFFFAOYSA-N
MW381.28 g/mol
LogP1.94
Rot. Bonds4

About 6-fluoro-5-piperidin-4-yloxy-N-pyrrolidin-1-ylpyridine-2-carboxamide;dihydrochloride

6-fluoro-5-piperidin-4-yloxy-N-pyrrolidin-1-ylpyridine-2-carboxamide;dihydrochloride (PubChem CID 178132053) has the molecular formula C15H23Cl2FN4O2 and a molecular weight of 381.28 g/mol. Its IUPAC name is 6-fluoro-5-piperidin-4-yloxy-N-pyrrolidin-1-ylpyridine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name6-fluoro-5-piperidin-4-yloxy-N-pyrrolidin-1-ylpyridine-2-carboxamide;dihydrochloride
PubChem CID178132053
Molecular FormulaC15H23Cl2FN4O2
Molecular Weight381.28 g/mol
Exact Mass380.12
IUPAC Name6-fluoro-5-piperidin-4-yloxy-N-pyrrolidin-1-ylpyridine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NN1CCCC1)c1ccc(OC2CCNCC2)c(F)n1
InChIInChI=1S/C15H21FN4O2.2ClH/c16-14-13(22-11-5-7-17-8-6-11)4-3-12(18-14)15(21)19-20-9-1-2-10-20;;/h3-4,11,17H,1-2,5-10H2,(H,19,21);2*1H
InChIKeyXMXDDEDUUYYARD-UHFFFAOYSA-N
XLogP1.94
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.28
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-piperidin-4-yloxy-N-pyrrolidin-1-ylpyridine-2-carboxamide;dihydrochloride?
The IUPAC name of 6-fluoro-5-piperidin-4-yloxy-N-pyrrolidin-1-ylpyridine-2-carboxamide;dihydrochloride (CID 178132053) is 6-fluoro-5-piperidin-4-yloxy-N-pyrrolidin-1-ylpyridine-2-carboxamide;dihydrochloride.
What is the SMILES notation for 6-fluoro-5-piperidin-4-yloxy-N-pyrrolidin-1-ylpyridine-2-carboxamide;dihydrochloride?
The canonical SMILES for 6-fluoro-5-piperidin-4-yloxy-N-pyrrolidin-1-ylpyridine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NN1CCCC1)c1ccc(OC2CCNCC2)c(F)n1.
What is the InChIKey of 6-fluoro-5-piperidin-4-yloxy-N-pyrrolidin-1-ylpyridine-2-carboxamide;dihydrochloride?
The InChIKey is XMXDDEDUUYYARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O2.2ClH/c16-14-13(22-11-5-7-17-8-6-11)4-3-12(18-14)15(21)19-20-9-1-2-10-20;;/h3-4,11,17H,1-2,5-10H2,(H,19,21);2*1H.
What are the key properties of 6-fluoro-5-piperidin-4-yloxy-N-pyrrolidin-1-ylpyridine-2-carboxamide;dihydrochloride?
6-fluoro-5-piperidin-4-yloxy-N-pyrrolidin-1-ylpyridine-2-carboxamide;dihydrochloride has a molecular weight of 381.28 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-piperidin-4-yloxy-N-pyrrolidin-1-ylpyridine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 178132053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).