2-ethoxy-N-[2-(2-ethoxypyridine-3-carbonyl)pyrazol-3-yl]pyridine-3-carboxamide

C19H19N5O4 — CID 9115580

IUPAC2-ethoxy-N-[2-(2-ethoxypyridine-3-carbonyl)pyrazol-3-yl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccnn1C(=O)c1cccnc1OCC
InChIInChI=1S/C19H19N5O4/c1-3-27-17-13(7-5-10-20-17)16(25)23-15-9-12-22-24(15)19(26)14-8-6-11-21-18(14)28-4-2/h5-12H,3-4H2,1-2H3,(H,23,25)
InChIKeyWBHXRKHTABFLDJ-UHFFFAOYSA-N
MW381.39 g/mol
LogP2.41
Rot. Bonds7

About 2-ethoxy-N-[2-(2-ethoxypyridine-3-carbonyl)pyrazol-3-yl]pyridine-3-carboxamide

2-ethoxy-N-[2-(2-ethoxypyridine-3-carbonyl)pyrazol-3-yl]pyridine-3-carboxamide (PubChem CID 9115580) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(2-ethoxypyridine-3-carbonyl)pyrazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-(2-ethoxypyridine-3-carbonyl)pyrazol-3-yl]pyridine-3-carboxamide
PubChem CID9115580
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Name2-ethoxy-N-[2-(2-ethoxypyridine-3-carbonyl)pyrazol-3-yl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1ccnn1C(=O)c1cccnc1OCC
InChIInChI=1S/C19H19N5O4/c1-3-27-17-13(7-5-10-20-17)16(25)23-15-9-12-22-24(15)19(26)14-8-6-11-21-18(14)28-4-2/h5-12H,3-4H2,1-2H3,(H,23,25)
InChIKeyWBHXRKHTABFLDJ-UHFFFAOYSA-N
XLogP2.41
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(2-ethoxypyridine-3-carbonyl)pyrazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-[2-(2-ethoxypyridine-3-carbonyl)pyrazol-3-yl]pyridine-3-carboxamide (CID 9115580) is 2-ethoxy-N-[2-(2-ethoxypyridine-3-carbonyl)pyrazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[2-(2-ethoxypyridine-3-carbonyl)pyrazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-[2-(2-ethoxypyridine-3-carbonyl)pyrazol-3-yl]pyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1ccnn1C(=O)c1cccnc1OCC.
What is the InChIKey of 2-ethoxy-N-[2-(2-ethoxypyridine-3-carbonyl)pyrazol-3-yl]pyridine-3-carboxamide?
The InChIKey is WBHXRKHTABFLDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-3-27-17-13(7-5-10-20-17)16(25)23-15-9-12-22-24(15)19(26)14-8-6-11-21-18(14)28-4-2/h5-12H,3-4H2,1-2H3,(H,23,25).
What are the key properties of 2-ethoxy-N-[2-(2-ethoxypyridine-3-carbonyl)pyrazol-3-yl]pyridine-3-carboxamide?
2-ethoxy-N-[2-(2-ethoxypyridine-3-carbonyl)pyrazol-3-yl]pyridine-3-carboxamide has a molecular weight of 381.39 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(2-ethoxypyridine-3-carbonyl)pyrazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 9115580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).