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

C18H26N6O2 — CID 91765100

IUPACN-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NC1CC(c2nnc(CN(C)C)n2C)C1
InChIInChI=1S/C18H26N6O2/c1-5-26-18-14(7-6-8-19-18)17(25)20-13-9-12(10-13)16-22-21-15(24(16)4)11-23(2)3/h6-8,12-13H,5,9-11H2,1-4H3,(H,20,25)
InChIKeyNROXHADXWKVHPI-UHFFFAOYSA-N
MW358.45 g/mol
LogP1.35
Rot. Bonds7

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

N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-ethoxypyridine-3-carboxamide (PubChem CID 91765100) 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]-2-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-ethoxypyridine-3-carboxamide
PubChem CID91765100
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]-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NC1CC(c2nnc(CN(C)C)n2C)C1
InChIInChI=1S/C18H26N6O2/c1-5-26-18-14(7-6-8-19-18)17(25)20-13-9-12(10-13)16-22-21-15(24(16)4)11-23(2)3/h6-8,12-13H,5,9-11H2,1-4H3,(H,20,25)
InChIKeyNROXHADXWKVHPI-UHFFFAOYSA-N
XLogP1.35
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.35
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]-2-ethoxypyridine-3-carboxamide?
The IUPAC name of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-ethoxypyridine-3-carboxamide (CID 91765100) is N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-ethoxypyridine-3-carboxamide is CCOc1ncccc1C(=O)NC1CC(c2nnc(CN(C)C)n2C)C1.
What is the InChIKey of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-ethoxypyridine-3-carboxamide?
The InChIKey is NROXHADXWKVHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-5-26-18-14(7-6-8-19-18)17(25)20-13-9-12(10-13)16-22-21-15(24(16)4)11-23(2)3/h6-8,12-13H,5,9-11H2,1-4H3,(H,20,25).
What are the key properties of N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-ethoxypyridine-3-carboxamide?
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-ethoxypyridine-3-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 1.35, 7 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]-2-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 91765100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).