2-[2-(dimethylamino)ethyl]-3-methylimidazole-4-carboxamide

C9H16N4O — CID 172863021

IUPAC2-[2-(dimethylamino)ethyl]-3-methylimidazole-4-carboxamide
SMILESCN(C)CCc1ncc(C(N)=O)n1C
InChIInChI=1S/C9H16N4O/c1-12(2)5-4-8-11-6-7(9(10)14)13(8)3/h6H,4-5H2,1-3H3,(H2,10,14)
InChIKeyZPMUAHQIHHFGHQ-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.38
Rot. Bonds4

About 2-[2-(dimethylamino)ethyl]-3-methylimidazole-4-carboxamide

2-[2-(dimethylamino)ethyl]-3-methylimidazole-4-carboxamide (PubChem CID 172863021) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-3-methylimidazole-4-carboxamide
PubChem CID172863021
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name2-[2-(dimethylamino)ethyl]-3-methylimidazole-4-carboxamide
SMILESCN(C)CCc1ncc(C(N)=O)n1C
InChIInChI=1S/C9H16N4O/c1-12(2)5-4-8-11-6-7(9(10)14)13(8)3/h6H,4-5H2,1-3H3,(H2,10,14)
InChIKeyZPMUAHQIHHFGHQ-UHFFFAOYSA-N
XLogP-0.38
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-3-methylimidazole-4-carboxamide?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-3-methylimidazole-4-carboxamide (CID 172863021) is 2-[2-(dimethylamino)ethyl]-3-methylimidazole-4-carboxamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-3-methylimidazole-4-carboxamide?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-3-methylimidazole-4-carboxamide is CN(C)CCc1ncc(C(N)=O)n1C.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-3-methylimidazole-4-carboxamide?
The InChIKey is ZPMUAHQIHHFGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-12(2)5-4-8-11-6-7(9(10)14)13(8)3/h6H,4-5H2,1-3H3,(H2,10,14).
What are the key properties of 2-[2-(dimethylamino)ethyl]-3-methylimidazole-4-carboxamide?
2-[2-(dimethylamino)ethyl]-3-methylimidazole-4-carboxamide has a molecular weight of 196.25 g/mol, XLogP of -0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 172863021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).