N,5-diethyl-1-methylimidazole-2-carboxamide

C9H15N3O — CID 59746133

IUPACN,5-diethyl-1-methylimidazole-2-carboxamide
SMILESCCNC(=O)c1ncc(CC)n1C
InChIInChI=1S/C9H15N3O/c1-4-7-6-11-8(12(7)3)9(13)10-5-2/h6H,4-5H2,1-3H3,(H,10,13)
InChIKeyWMODKBNPWAYBMH-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.73
Rot. Bonds3

About N,5-diethyl-1-methylimidazole-2-carboxamide

N,5-diethyl-1-methylimidazole-2-carboxamide (PubChem CID 59746133) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N,5-diethyl-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN,5-diethyl-1-methylimidazole-2-carboxamide
PubChem CID59746133
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN,5-diethyl-1-methylimidazole-2-carboxamide
SMILESCCNC(=O)c1ncc(CC)n1C
InChIInChI=1S/C9H15N3O/c1-4-7-6-11-8(12(7)3)9(13)10-5-2/h6H,4-5H2,1-3H3,(H,10,13)
InChIKeyWMODKBNPWAYBMH-UHFFFAOYSA-N
XLogP0.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,5-diethyl-1-methylimidazole-2-carboxamide?
The IUPAC name of N,5-diethyl-1-methylimidazole-2-carboxamide (CID 59746133) is N,5-diethyl-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N,5-diethyl-1-methylimidazole-2-carboxamide?
The canonical SMILES for N,5-diethyl-1-methylimidazole-2-carboxamide is CCNC(=O)c1ncc(CC)n1C.
What is the InChIKey of N,5-diethyl-1-methylimidazole-2-carboxamide?
The InChIKey is WMODKBNPWAYBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-4-7-6-11-8(12(7)3)9(13)10-5-2/h6H,4-5H2,1-3H3,(H,10,13).
What are the key properties of N,5-diethyl-1-methylimidazole-2-carboxamide?
N,5-diethyl-1-methylimidazole-2-carboxamide has a molecular weight of 181.24 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diethyl-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 59746133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).