5-[1-[2-(6-methyl-3-pyridinyl)acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide

C17H21N5O2 — CID 71926925

IUPAC5-[1-[2-(6-methyl-3-pyridinyl)acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(CC(=O)N2CCCC(c3cc(C(N)=O)n[nH]3)C2)cn1
InChIInChI=1S/C17H21N5O2/c1-11-4-5-12(9-19-11)7-16(23)22-6-2-3-13(10-22)14-8-15(17(18)24)21-20-14/h4-5,8-9,13H,2-3,6-7,10H2,1H3,(H2,18,24)(H,20,21)
InChIKeyRCFPNLDWGLTVKP-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.16
Rot. Bonds4

About 5-[1-[2-(6-methyl-3-pyridinyl)acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide

5-[1-[2-(6-methyl-3-pyridinyl)acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 71926925) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 5-[1-[2-(6-methyl-3-pyridinyl)acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-[2-(6-methyl-3-pyridinyl)acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID71926925
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name5-[1-[2-(6-methyl-3-pyridinyl)acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(CC(=O)N2CCCC(c3cc(C(N)=O)n[nH]3)C2)cn1
InChIInChI=1S/C17H21N5O2/c1-11-4-5-12(9-19-11)7-16(23)22-6-2-3-13(10-22)14-8-15(17(18)24)21-20-14/h4-5,8-9,13H,2-3,6-7,10H2,1H3,(H2,18,24)(H,20,21)
InChIKeyRCFPNLDWGLTVKP-UHFFFAOYSA-N
XLogP1.16
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-(6-methyl-3-pyridinyl)acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[1-[2-(6-methyl-3-pyridinyl)acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide (CID 71926925) is 5-[1-[2-(6-methyl-3-pyridinyl)acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[1-[2-(6-methyl-3-pyridinyl)acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[1-[2-(6-methyl-3-pyridinyl)acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide is Cc1ccc(CC(=O)N2CCCC(c3cc(C(N)=O)n[nH]3)C2)cn1.
What is the InChIKey of 5-[1-[2-(6-methyl-3-pyridinyl)acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is RCFPNLDWGLTVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-11-4-5-12(9-19-11)7-16(23)22-6-2-3-13(10-22)14-8-15(17(18)24)21-20-14/h4-5,8-9,13H,2-3,6-7,10H2,1H3,(H2,18,24)(H,20,21).
What are the key properties of 5-[1-[2-(6-methyl-3-pyridinyl)acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
5-[1-[2-(6-methyl-3-pyridinyl)acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2-(6-methyl-3-pyridinyl)acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71926925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).