3-fluoro-N-piperidin-4-ylpyridine-4-carboxamide;dihydrochloride

C11H16Cl2FN3O — CID 117073389

IUPAC3-fluoro-N-piperidin-4-ylpyridine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCNCC1)c1ccncc1F
InChIInChI=1S/C11H14FN3O.2ClH/c12-10-7-14-6-3-9(10)11(16)15-8-1-4-13-5-2-8;;/h3,6-8,13H,1-2,4-5H2,(H,15,16);2*1H
InChIKeySXHSDCRFAWAIBB-UHFFFAOYSA-N
MW296.17 g/mol
LogP1.55
Rot. Bonds2

About 3-fluoro-N-piperidin-4-ylpyridine-4-carboxamide;dihydrochloride

3-fluoro-N-piperidin-4-ylpyridine-4-carboxamide;dihydrochloride (PubChem CID 117073389) has the molecular formula C11H16Cl2FN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 3-fluoro-N-piperidin-4-ylpyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-fluoro-N-piperidin-4-ylpyridine-4-carboxamide;dihydrochloride
PubChem CID117073389
Molecular FormulaC11H16Cl2FN3O
Molecular Weight296.17 g/mol
Exact Mass295.07
IUPAC Name3-fluoro-N-piperidin-4-ylpyridine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCNCC1)c1ccncc1F
InChIInChI=1S/C11H14FN3O.2ClH/c12-10-7-14-6-3-9(10)11(16)15-8-1-4-13-5-2-8;;/h3,6-8,13H,1-2,4-5H2,(H,15,16);2*1H
InChIKeySXHSDCRFAWAIBB-UHFFFAOYSA-N
XLogP1.55
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-3-fluoropyridine-4-carboxamide
CID 64950507
3-fluoro-N-(4-hydroxycyclohexyl)pyridine-4-carboxamide
CID 64950701
N-(4-aminocyclohexyl)-3-fluoropyridine-4-carboxamide
CID 64950869
N-(1,1-dioxothian-4-yl)-3-fluoropyridine-4-carboxamide
CID 115646668
N-(1-acetylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide
CID 113240920
N-(1-cyclopropylpiperidin-4-yl)-3-fluoropyridine-4-carboxamide
CID 115646277
N-(3-aminocyclobutyl)-3-fluoropyridine-4-carboxamide
CID 64951103
3-chloro-N-pyrrolidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119452044
2-fluoro-4-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389290
3-[(3-fluoropyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64951456
N-piperidin-4-yl-4-(propan-2-ylamino)pyridine-3-carboxamide
CID 172633218
4-fluoro-2-methyl-N-piperidin-4-yl-3-pyridin-3-ylbenzamide
CID 144590337

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-piperidin-4-ylpyridine-4-carboxamide;dihydrochloride?
The IUPAC name of 3-fluoro-N-piperidin-4-ylpyridine-4-carboxamide;dihydrochloride (CID 117073389) is 3-fluoro-N-piperidin-4-ylpyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 3-fluoro-N-piperidin-4-ylpyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for 3-fluoro-N-piperidin-4-ylpyridine-4-carboxamide;dihydrochloride is Cl.Cl.O=C(NC1CCNCC1)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-piperidin-4-ylpyridine-4-carboxamide;dihydrochloride?
The InChIKey is SXHSDCRFAWAIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O.2ClH/c12-10-7-14-6-3-9(10)11(16)15-8-1-4-13-5-2-8;;/h3,6-8,13H,1-2,4-5H2,(H,15,16);2*1H.
What are the key properties of 3-fluoro-N-piperidin-4-ylpyridine-4-carboxamide;dihydrochloride?
3-fluoro-N-piperidin-4-ylpyridine-4-carboxamide;dihydrochloride has a molecular weight of 296.17 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-piperidin-4-ylpyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 117073389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).