ethane;6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridine-3-carboxamide

C16H17N5O2 — CID 143687198

IUPACethane;6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridine-3-carboxamide
SMILESCC.NC(=O)c1ccc(-n2[nH]cc(-c3cccnc3)c2=O)nc1
InChIInChI=1S/C14H11N5O2.C2H6/c15-13(20)10-3-4-12(17-7-10)19-14(21)11(8-18-19)9-2-1-5-16-6-9;1-2/h1-8,18H,(H2,15,20);1-2H3
InChIKeyGATWJBYKQFSILO-UHFFFAOYSA-N
MW311.35 g/mol
LogP1.75
Rot. Bonds3

About ethane;6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridine-3-carboxamide

ethane;6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridine-3-carboxamide (PubChem CID 143687198) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is ethane;6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Nameethane;6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridine-3-carboxamide
PubChem CID143687198
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Nameethane;6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridine-3-carboxamide
SMILESCC.NC(=O)c1ccc(-n2[nH]cc(-c3cccnc3)c2=O)nc1
InChIInChI=1S/C14H11N5O2.C2H6/c15-13(20)10-3-4-12(17-7-10)19-14(21)11(8-18-19)9-2-1-5-16-6-9;1-2/h1-8,18H,(H2,15,20);1-2H3
InChIKeyGATWJBYKQFSILO-UHFFFAOYSA-N
XLogP1.75
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of ethane;6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridine-3-carboxamide (CID 143687198) is ethane;6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for ethane;6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for ethane;6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridine-3-carboxamide is CC.NC(=O)c1ccc(-n2[nH]cc(-c3cccnc3)c2=O)nc1.
What is the InChIKey of ethane;6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridine-3-carboxamide?
The InChIKey is GATWJBYKQFSILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O2.C2H6/c15-13(20)10-3-4-12(17-7-10)19-14(21)11(8-18-19)9-2-1-5-16-6-9;1-2/h1-8,18H,(H2,15,20);1-2H3.
What are the key properties of ethane;6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridine-3-carboxamide?
ethane;6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridine-3-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-(3-oxo-4-pyridin-3-yl-1H-pyrazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 143687198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).