4-[3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propoxy]benzamide

C19H24N4O2 — CID 50965571

IUPAC4-[3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propoxy]benzamide
SMILESCn1cc(C2=CCN(CCCOc3ccc(C(N)=O)cc3)CC2)cn1
InChIInChI=1S/C19H24N4O2/c1-22-14-17(13-21-22)15-7-10-23(11-8-15)9-2-12-25-18-5-3-16(4-6-18)19(20)24/h3-7,13-14H,2,8-12H2,1H3,(H2,20,24)
InChIKeySXNKNXPUDWZYPL-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.08
Rot. Bonds7

About 4-[3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propoxy]benzamide

4-[3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propoxy]benzamide (PubChem CID 50965571) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-[3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propoxy]benzamide.

Molecular Properties

Compound Name4-[3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propoxy]benzamide
PubChem CID50965571
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name4-[3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propoxy]benzamide
SMILESCn1cc(C2=CCN(CCCOc3ccc(C(N)=O)cc3)CC2)cn1
InChIInChI=1S/C19H24N4O2/c1-22-14-17(13-21-22)15-7-10-23(11-8-15)9-2-12-25-18-5-3-16(4-6-18)19(20)24/h3-7,13-14H,2,8-12H2,1H3,(H2,20,24)
InChIKeySXNKNXPUDWZYPL-UHFFFAOYSA-N
XLogP2.08
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propoxy]benzamide?
The IUPAC name of 4-[3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propoxy]benzamide (CID 50965571) is 4-[3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propoxy]benzamide.
What is the SMILES notation for 4-[3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propoxy]benzamide?
The canonical SMILES for 4-[3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propoxy]benzamide is Cn1cc(C2=CCN(CCCOc3ccc(C(N)=O)cc3)CC2)cn1.
What is the InChIKey of 4-[3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propoxy]benzamide?
The InChIKey is SXNKNXPUDWZYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-22-14-17(13-21-22)15-7-10-23(11-8-15)9-2-12-25-18-5-3-16(4-6-18)19(20)24/h3-7,13-14H,2,8-12H2,1H3,(H2,20,24).
What are the key properties of 4-[3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propoxy]benzamide?
4-[3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propoxy]benzamide has a molecular weight of 340.43 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(1-methylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]propoxy]benzamide is sourced from PubChem (CID 50965571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).