6-ethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]pyridine-3-carboxamide

C20H23N5O2S — CID 91632036

IUPAC6-ethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)NC2CCN(c3cc(-c4cccs4)[nH]n3)CC2)cn1
InChIInChI=1S/C20H23N5O2S/c1-2-27-19-6-5-14(13-21-19)20(26)22-15-7-9-25(10-8-15)18-12-16(23-24-18)17-4-3-11-28-17/h3-6,11-13,15H,2,7-10H2,1H3,(H,22,26)(H,23,24)
InChIKeyIAILQMCHDBPELB-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.33
Rot. Bonds6

About 6-ethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]pyridine-3-carboxamide

6-ethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 91632036) has the molecular formula C20H23N5O2S and a molecular weight of 397.50 g/mol. Its IUPAC name is 6-ethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]pyridine-3-carboxamide
PubChem CID91632036
Molecular FormulaC20H23N5O2S
Molecular Weight397.50 g/mol
Exact Mass397.16
IUPAC Name6-ethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)NC2CCN(c3cc(-c4cccs4)[nH]n3)CC2)cn1
InChIInChI=1S/C20H23N5O2S/c1-2-27-19-6-5-14(13-21-19)20(26)22-15-7-9-25(10-8-15)18-12-16(23-24-18)17-4-3-11-28-17/h3-6,11-13,15H,2,7-10H2,1H3,(H,22,26)(H,23,24)
InChIKeyIAILQMCHDBPELB-UHFFFAOYSA-N
XLogP3.33
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of 6-ethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]pyridine-3-carboxamide (CID 91632036) is 6-ethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-ethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-ethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]pyridine-3-carboxamide is CCOc1ccc(C(=O)NC2CCN(c3cc(-c4cccs4)[nH]n3)CC2)cn1.
What is the InChIKey of 6-ethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is IAILQMCHDBPELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2S/c1-2-27-19-6-5-14(13-21-19)20(26)22-15-7-9-25(10-8-15)18-12-16(23-24-18)17-4-3-11-28-17/h3-6,11-13,15H,2,7-10H2,1H3,(H,22,26)(H,23,24).
What are the key properties of 6-ethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]pyridine-3-carboxamide?
6-ethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 397.50 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 91632036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).