5-[1-(2-ethoxypyridine-4-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide

C17H21N5O3 — CID 71927095

IUPAC5-[1-(2-ethoxypyridine-4-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCCOc1cc(C(=O)N2CCCC(c3cc(C(N)=O)n[nH]3)C2)ccn1
InChIInChI=1S/C17H21N5O3/c1-2-25-15-8-11(5-6-19-15)17(24)22-7-3-4-12(10-22)13-9-14(16(18)23)21-20-13/h5-6,8-9,12H,2-4,7,10H2,1H3,(H2,18,23)(H,20,21)
InChIKeyGPUZPOFNGSOYGY-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.32
Rot. Bonds5

About 5-[1-(2-ethoxypyridine-4-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide

5-[1-(2-ethoxypyridine-4-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 71927095) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 5-[1-(2-ethoxypyridine-4-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-(2-ethoxypyridine-4-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID71927095
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name5-[1-(2-ethoxypyridine-4-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCCOc1cc(C(=O)N2CCCC(c3cc(C(N)=O)n[nH]3)C2)ccn1
InChIInChI=1S/C17H21N5O3/c1-2-25-15-8-11(5-6-19-15)17(24)22-7-3-4-12(10-22)13-9-14(16(18)23)21-20-13/h5-6,8-9,12H,2-4,7,10H2,1H3,(H2,18,23)(H,20,21)
InChIKeyGPUZPOFNGSOYGY-UHFFFAOYSA-N
XLogP1.32
TPSA114.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-ethoxypyridine-4-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[1-(2-ethoxypyridine-4-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide (CID 71927095) is 5-[1-(2-ethoxypyridine-4-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[1-(2-ethoxypyridine-4-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[1-(2-ethoxypyridine-4-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide is CCOc1cc(C(=O)N2CCCC(c3cc(C(N)=O)n[nH]3)C2)ccn1.
What is the InChIKey of 5-[1-(2-ethoxypyridine-4-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is GPUZPOFNGSOYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-2-25-15-8-11(5-6-19-15)17(24)22-7-3-4-12(10-22)13-9-14(16(18)23)21-20-13/h5-6,8-9,12H,2-4,7,10H2,1H3,(H2,18,23)(H,20,21).
What are the key properties of 5-[1-(2-ethoxypyridine-4-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide?
5-[1-(2-ethoxypyridine-4-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-ethoxypyridine-4-carbonyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71927095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).