5-methoxy-1-methyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-4-oxopyridine-2-carboxamide

C16H20N4O4 — CID 166268582

IUPAC5-methoxy-1-methyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-4-oxopyridine-2-carboxamide
SMILESCOc1cn(C)c(C(=O)Nc2cc(C3CCCOC3)[nH]n2)cc1=O
InChIInChI=1S/C16H20N4O4/c1-20-8-14(23-2)13(21)7-12(20)16(22)17-15-6-11(18-19-15)10-4-3-5-24-9-10/h6-8,10H,3-5,9H2,1-2H3,(H2,17,18,19,22)
InChIKeyUGPACYUABNNTKA-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.26
Rot. Bonds4

About 5-methoxy-1-methyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-4-oxopyridine-2-carboxamide

5-methoxy-1-methyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-4-oxopyridine-2-carboxamide (PubChem CID 166268582) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 5-methoxy-1-methyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-4-oxopyridine-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-1-methyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-4-oxopyridine-2-carboxamide
PubChem CID166268582
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name5-methoxy-1-methyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-4-oxopyridine-2-carboxamide
SMILESCOc1cn(C)c(C(=O)Nc2cc(C3CCCOC3)[nH]n2)cc1=O
InChIInChI=1S/C16H20N4O4/c1-20-8-14(23-2)13(21)7-12(20)16(22)17-15-6-11(18-19-15)10-4-3-5-24-9-10/h6-8,10H,3-5,9H2,1-2H3,(H2,17,18,19,22)
InChIKeyUGPACYUABNNTKA-UHFFFAOYSA-N
XLogP1.26
TPSA98.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-4-oxopyridine-2-carboxamide?
The IUPAC name of 5-methoxy-1-methyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-4-oxopyridine-2-carboxamide (CID 166268582) is 5-methoxy-1-methyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-4-oxopyridine-2-carboxamide.
What is the SMILES notation for 5-methoxy-1-methyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-4-oxopyridine-2-carboxamide?
The canonical SMILES for 5-methoxy-1-methyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-4-oxopyridine-2-carboxamide is COc1cn(C)c(C(=O)Nc2cc(C3CCCOC3)[nH]n2)cc1=O.
What is the InChIKey of 5-methoxy-1-methyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-4-oxopyridine-2-carboxamide?
The InChIKey is UGPACYUABNNTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-20-8-14(23-2)13(21)7-12(20)16(22)17-15-6-11(18-19-15)10-4-3-5-24-9-10/h6-8,10H,3-5,9H2,1-2H3,(H2,17,18,19,22).
What are the key properties of 5-methoxy-1-methyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-4-oxopyridine-2-carboxamide?
5-methoxy-1-methyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-4-oxopyridine-2-carboxamide has a molecular weight of 332.36 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-N-[5-(oxan-3-yl)-1H-pyrazol-3-yl]-4-oxopyridine-2-carboxamide is sourced from PubChem (CID 166268582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).