5-N-cyclobutyl-3-N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-2-oxopyridine-3,5-dicarboxamide

C17H21N5O3 — CID 126648450

IUPAC5-N-cyclobutyl-3-N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-2-oxopyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CCC2)cn(Cc2cnn(C)c2)c1=O
InChIInChI=1S/C17H21N5O3/c1-18-16(24)14-6-12(15(23)20-13-4-3-5-13)10-22(17(14)25)9-11-7-19-21(2)8-11/h6-8,10,13H,3-5,9H2,1-2H3,(H,18,24)(H,20,23)
InChIKeyZHRWITCQSBSDBA-UHFFFAOYSA-N
MW343.39 g/mol
LogP0.27
Rot. Bonds5

About 5-N-cyclobutyl-3-N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-2-oxopyridine-3,5-dicarboxamide

5-N-cyclobutyl-3-N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-2-oxopyridine-3,5-dicarboxamide (PubChem CID 126648450) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 5-N-cyclobutyl-3-N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-2-oxopyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-cyclobutyl-3-N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-2-oxopyridine-3,5-dicarboxamide
PubChem CID126648450
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name5-N-cyclobutyl-3-N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-2-oxopyridine-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2CCC2)cn(Cc2cnn(C)c2)c1=O
InChIInChI=1S/C17H21N5O3/c1-18-16(24)14-6-12(15(23)20-13-4-3-5-13)10-22(17(14)25)9-11-7-19-21(2)8-11/h6-8,10,13H,3-5,9H2,1-2H3,(H,18,24)(H,20,23)
InChIKeyZHRWITCQSBSDBA-UHFFFAOYSA-N
XLogP0.27
TPSA98.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-N-cyclobutyl-3-N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-2-oxopyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-cyclobutyl-3-N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-2-oxopyridine-3,5-dicarboxamide (CID 126648450) is 5-N-cyclobutyl-3-N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-2-oxopyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-cyclobutyl-3-N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-2-oxopyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-cyclobutyl-3-N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-2-oxopyridine-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)NC2CCC2)cn(Cc2cnn(C)c2)c1=O.
What is the InChIKey of 5-N-cyclobutyl-3-N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-2-oxopyridine-3,5-dicarboxamide?
The InChIKey is ZHRWITCQSBSDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-18-16(24)14-6-12(15(23)20-13-4-3-5-13)10-22(17(14)25)9-11-7-19-21(2)8-11/h6-8,10,13H,3-5,9H2,1-2H3,(H,18,24)(H,20,23).
What are the key properties of 5-N-cyclobutyl-3-N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-2-oxopyridine-3,5-dicarboxamide?
5-N-cyclobutyl-3-N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-2-oxopyridine-3,5-dicarboxamide has a molecular weight of 343.39 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclobutyl-3-N-methyl-1-[(1-methylpyrazol-4-yl)methyl]-2-oxopyridine-3,5-dicarboxamide is sourced from PubChem (CID 126648450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).