N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-methyl-2-oxopyridine-4-carboxamide

C17H24N6O2 — CID 91792747

IUPACN-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCN(C)Cc1nnc(C2CC(NC(=O)c3ccn(C)c(=O)c3)C2)n1C
InChIInChI=1S/C17H24N6O2/c1-21(2)10-14-19-20-16(23(14)4)12-7-13(8-12)18-17(25)11-5-6-22(3)15(24)9-11/h5-6,9,12-13H,7-8,10H2,1-4H3,(H,18,25)
InChIKeyZVGKUAZTAWVEIA-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.25
Rot. Bonds5

About N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-methyl-2-oxopyridine-4-carboxamide

N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 91792747) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID91792747
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC NameN-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCN(C)Cc1nnc(C2CC(NC(=O)c3ccn(C)c(=O)c3)C2)n1C
InChIInChI=1S/C17H24N6O2/c1-21(2)10-14-19-20-16(23(14)4)12-7-13(8-12)18-17(25)11-5-6-22(3)15(24)9-11/h5-6,9,12-13H,7-8,10H2,1-4H3,(H,18,25)
InChIKeyZVGKUAZTAWVEIA-UHFFFAOYSA-N
XLogP0.25
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-methyl-2-oxopyridine-4-carboxamide (CID 91792747) is N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-methyl-2-oxopyridine-4-carboxamide is CN(C)Cc1nnc(C2CC(NC(=O)c3ccn(C)c(=O)c3)C2)n1C.
What is the InChIKey of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is ZVGKUAZTAWVEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-21(2)10-14-19-20-16(23(14)4)12-7-13(8-12)18-17(25)11-5-6-22(3)15(24)9-11/h5-6,9,12-13H,7-8,10H2,1-4H3,(H,18,25).
What are the key properties of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-methyl-2-oxopyridine-4-carboxamide?
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 91792747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).