N-(5-fluoro-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride

C17H19ClFN3O3 — CID 171713510

IUPACN-(5-fluoro-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride
SMILESCc1cc(C2CCNCC2)oc(=O)c1C(=O)Nc1ccc(F)cn1.Cl
InChIInChI=1S/C17H18FN3O3.ClH/c1-10-8-13(11-4-6-19-7-5-11)24-17(23)15(10)16(22)21-14-3-2-12(18)9-20-14;/h2-3,8-9,11,19H,4-7H2,1H3,(H,20,21,22);1H
InChIKeyXXFDLQTUIULMPF-UHFFFAOYSA-N
MW367.81 g/mol
LogP2.62
Rot. Bonds3

About N-(5-fluoro-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride

N-(5-fluoro-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride (PubChem CID 171713510) has the molecular formula C17H19ClFN3O3 and a molecular weight of 367.81 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride
PubChem CID171713510
Molecular FormulaC17H19ClFN3O3
Molecular Weight367.81 g/mol
Exact Mass367.11
IUPAC NameN-(5-fluoro-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride
SMILESCc1cc(C2CCNCC2)oc(=O)c1C(=O)Nc1ccc(F)cn1.Cl
InChIInChI=1S/C17H18FN3O3.ClH/c1-10-8-13(11-4-6-19-7-5-11)24-17(23)15(10)16(22)21-14-3-2-12(18)9-20-14;/h2-3,8-9,11,19H,4-7H2,1H3,(H,20,21,22);1H
InChIKeyXXFDLQTUIULMPF-UHFFFAOYSA-N
XLogP2.62
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(1-methylindazol-3-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride
CID 171711229
4-methyl-N-(2-methylbenzotriazol-4-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride
CID 171709128
N-(3-hydroxy-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170509910
N-(4-ethyl-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170504297
N-(2-fluoro-5-methylphenyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170511577
6-cyclobutyl-N-(3,5-dimethyl-2-pyridinyl)-4-methyl-2-oxopyran-3-carboxamide
CID 171389472
4-methyl-2-oxo-6-piperidin-3-yl-N-(2,5,6-trimethyl-3-pyridinyl)pyran-3-carboxamide;dihydrochloride
CID 171709033
N-(6,7-dimethyl-3H-benzimidazol-5-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride
CID 171991734
N-[2-fluoro-5-(1,2,4-triazol-4-yl)phenyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 171386392
N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170506338
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride
CID 171709461
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
CID 171712491

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride (CID 171713510) is N-(5-fluoro-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride is Cc1cc(C2CCNCC2)oc(=O)c1C(=O)Nc1ccc(F)cn1.Cl.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride?
The InChIKey is XXFDLQTUIULMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3.ClH/c1-10-8-13(11-4-6-19-7-5-11)24-17(23)15(10)16(22)21-14-3-2-12(18)9-20-14;/h2-3,8-9,11,19H,4-7H2,1H3,(H,20,21,22);1H.
What are the key properties of N-(5-fluoro-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride?
N-(5-fluoro-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride has a molecular weight of 367.81 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride is sourced from PubChem (CID 171713510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).