N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

C18H26N6O2 — CID 91760513

IUPACN-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C(=O)NC2CC(c3nnc(CN(C)C)n3C)C2)c(=O)[nH]c1C
InChIInChI=1S/C18H26N6O2/c1-10-6-14(17(25)19-11(10)2)18(26)20-13-7-12(8-13)16-22-21-15(24(16)5)9-23(3)4/h6,12-13H,7-9H2,1-5H3,(H,19,25)(H,20,26)
InChIKeyKOFVIKIXEKQPFC-UHFFFAOYSA-N
MW358.45 g/mol
LogP0.86
Rot. Bonds5

About N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 91760513) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID91760513
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC NameN-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C(=O)NC2CC(c3nnc(CN(C)C)n3C)C2)c(=O)[nH]c1C
InChIInChI=1S/C18H26N6O2/c1-10-6-14(17(25)19-11(10)2)18(26)20-13-7-12(8-13)16-22-21-15(24(16)5)9-23(3)4/h6,12-13H,7-9H2,1-5H3,(H,19,25)(H,20,26)
InChIKeyKOFVIKIXEKQPFC-UHFFFAOYSA-N
XLogP0.86
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (CID 91760513) is N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(C(=O)NC2CC(c3nnc(CN(C)C)n3C)C2)c(=O)[nH]c1C.
What is the InChIKey of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is KOFVIKIXEKQPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-10-6-14(17(25)19-11(10)2)18(26)20-13-7-12(8-13)16-22-21-15(24(16)5)9-23(3)4/h6,12-13H,7-9H2,1-5H3,(H,19,25)(H,20,26).
What are the key properties of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 91760513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).