N-(4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide

C17H19FN4O — CID 53005785

IUPACN-(4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
SMILESCn1cc(C2=CCN(CC(=O)Nc3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C17H19FN4O/c1-21-11-14(10-19-21)13-6-8-22(9-7-13)12-17(23)20-16-4-2-15(18)3-5-16/h2-6,10-11H,7-9,12H2,1H3,(H,20,23)
InChIKeyOZTOJPJCWQOLBA-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.29
Rot. Bonds4

About N-(4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide

N-(4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide (PubChem CID 53005785) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
PubChem CID53005785
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC NameN-(4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
SMILESCn1cc(C2=CCN(CC(=O)Nc3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C17H19FN4O/c1-21-11-14(10-19-21)13-6-8-22(9-7-13)12-17(23)20-16-4-2-15(18)3-5-16/h2-6,10-11H,7-9,12H2,1H3,(H,20,23)
InChIKeyOZTOJPJCWQOLBA-UHFFFAOYSA-N
XLogP2.29
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide (CID 53005785) is N-(4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide is Cn1cc(C2=CCN(CC(=O)Nc3ccc(F)cc3)CC2)cn1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The InChIKey is OZTOJPJCWQOLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c1-21-11-14(10-19-21)13-6-8-22(9-7-13)12-17(23)20-16-4-2-15(18)3-5-16/h2-6,10-11H,7-9,12H2,1H3,(H,20,23).
What are the key properties of N-(4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide has a molecular weight of 314.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]acetamide is sourced from PubChem (CID 53005785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).