6-ethoxy-N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide

C18H19N5O2 — CID 86848896

IUPAC6-ethoxy-N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2n[nH]c(-c3ccncc3)c2CC)cn1
InChIInChI=1S/C18H19N5O2/c1-3-14-16(12-7-9-19-10-8-12)22-23-17(14)21-18(24)13-5-6-15(20-11-13)25-4-2/h5-11H,3-4H2,1-2H3,(H2,21,22,23,24)
InChIKeyTWDCBGUUGSZFEG-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.08
Rot. Bonds6

About 6-ethoxy-N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide

6-ethoxy-N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide (PubChem CID 86848896) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 6-ethoxy-N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-ethoxy-N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide
PubChem CID86848896
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name6-ethoxy-N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2n[nH]c(-c3ccncc3)c2CC)cn1
InChIInChI=1S/C18H19N5O2/c1-3-14-16(12-7-9-19-10-8-12)22-23-17(14)21-18(24)13-5-6-15(20-11-13)25-4-2/h5-11H,3-4H2,1-2H3,(H2,21,22,23,24)
InChIKeyTWDCBGUUGSZFEG-UHFFFAOYSA-N
XLogP3.08
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide?
The IUPAC name of 6-ethoxy-N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide (CID 86848896) is 6-ethoxy-N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-ethoxy-N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-ethoxy-N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide is CCOc1ccc(C(=O)Nc2n[nH]c(-c3ccncc3)c2CC)cn1.
What is the InChIKey of 6-ethoxy-N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide?
The InChIKey is TWDCBGUUGSZFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-3-14-16(12-7-9-19-10-8-12)22-23-17(14)21-18(24)13-5-6-15(20-11-13)25-4-2/h5-11H,3-4H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 6-ethoxy-N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide?
6-ethoxy-N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 86848896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).