6-[4-(2-methoxy-4-pyridinyl)-3-oxo-1H-pyrazol-2-yl]-N-(2-methylbutan-2-yl)pyridine-3-carboxamide

C20H23N5O3 — CID 123730098

IUPAC6-[4-(2-methoxy-4-pyridinyl)-3-oxo-1H-pyrazol-2-yl]-N-(2-methylbutan-2-yl)pyridine-3-carboxamide
SMILESCCC(C)(C)NC(=O)c1ccc(-n2[nH]cc(-c3ccnc(OC)c3)c2=O)nc1
InChIInChI=1S/C20H23N5O3/c1-5-20(2,3)24-18(26)14-6-7-16(22-11-14)25-19(27)15(12-23-25)13-8-9-21-17(10-13)28-4/h6-12,23H,5H2,1-4H3,(H,24,26)
InChIKeyJTNPIFNCGINVDV-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.55
Rot. Bonds6

About 6-[4-(2-methoxy-4-pyridinyl)-3-oxo-1H-pyrazol-2-yl]-N-(2-methylbutan-2-yl)pyridine-3-carboxamide

6-[4-(2-methoxy-4-pyridinyl)-3-oxo-1H-pyrazol-2-yl]-N-(2-methylbutan-2-yl)pyridine-3-carboxamide (PubChem CID 123730098) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 6-[4-(2-methoxy-4-pyridinyl)-3-oxo-1H-pyrazol-2-yl]-N-(2-methylbutan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(2-methoxy-4-pyridinyl)-3-oxo-1H-pyrazol-2-yl]-N-(2-methylbutan-2-yl)pyridine-3-carboxamide
PubChem CID123730098
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name6-[4-(2-methoxy-4-pyridinyl)-3-oxo-1H-pyrazol-2-yl]-N-(2-methylbutan-2-yl)pyridine-3-carboxamide
SMILESCCC(C)(C)NC(=O)c1ccc(-n2[nH]cc(-c3ccnc(OC)c3)c2=O)nc1
InChIInChI=1S/C20H23N5O3/c1-5-20(2,3)24-18(26)14-6-7-16(22-11-14)25-19(27)15(12-23-25)13-8-9-21-17(10-13)28-4/h6-12,23H,5H2,1-4H3,(H,24,26)
InChIKeyJTNPIFNCGINVDV-UHFFFAOYSA-N
XLogP2.55
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methoxy-4-pyridinyl)-3-oxo-1H-pyrazol-2-yl]-N-(2-methylbutan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-(2-methoxy-4-pyridinyl)-3-oxo-1H-pyrazol-2-yl]-N-(2-methylbutan-2-yl)pyridine-3-carboxamide (CID 123730098) is 6-[4-(2-methoxy-4-pyridinyl)-3-oxo-1H-pyrazol-2-yl]-N-(2-methylbutan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(2-methoxy-4-pyridinyl)-3-oxo-1H-pyrazol-2-yl]-N-(2-methylbutan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(2-methoxy-4-pyridinyl)-3-oxo-1H-pyrazol-2-yl]-N-(2-methylbutan-2-yl)pyridine-3-carboxamide is CCC(C)(C)NC(=O)c1ccc(-n2[nH]cc(-c3ccnc(OC)c3)c2=O)nc1.
What is the InChIKey of 6-[4-(2-methoxy-4-pyridinyl)-3-oxo-1H-pyrazol-2-yl]-N-(2-methylbutan-2-yl)pyridine-3-carboxamide?
The InChIKey is JTNPIFNCGINVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-5-20(2,3)24-18(26)14-6-7-16(22-11-14)25-19(27)15(12-23-25)13-8-9-21-17(10-13)28-4/h6-12,23H,5H2,1-4H3,(H,24,26).
What are the key properties of 6-[4-(2-methoxy-4-pyridinyl)-3-oxo-1H-pyrazol-2-yl]-N-(2-methylbutan-2-yl)pyridine-3-carboxamide?
6-[4-(2-methoxy-4-pyridinyl)-3-oxo-1H-pyrazol-2-yl]-N-(2-methylbutan-2-yl)pyridine-3-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methoxy-4-pyridinyl)-3-oxo-1H-pyrazol-2-yl]-N-(2-methylbutan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 123730098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).