N-ethyl-1-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide

C11H18N4O — CID 107971834

IUPACN-ethyl-1-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide
SMILESCCN(C(=O)c1cn(C)cn1)C1CCNC1
InChIInChI=1S/C11H18N4O/c1-3-15(9-4-5-12-6-9)11(16)10-7-14(2)8-13-10/h7-9,12H,3-6H2,1-2H3
InChIKeyUACNZDMLCLISIY-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.24
Rot. Bonds3

About N-ethyl-1-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide

N-ethyl-1-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide (PubChem CID 107971834) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-ethyl-1-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide
PubChem CID107971834
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-ethyl-1-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide
SMILESCCN(C(=O)c1cn(C)cn1)C1CCNC1
InChIInChI=1S/C11H18N4O/c1-3-15(9-4-5-12-6-9)11(16)10-7-14(2)8-13-10/h7-9,12H,3-6H2,1-2H3
InChIKeyUACNZDMLCLISIY-UHFFFAOYSA-N
XLogP0.24
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4-chloro-N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide
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N-ethyl-1-methyl-N-piperidin-4-ylpyrazole-4-carboxamide
CID 60807095
N-(4-aminocyclohexyl)-1-methyl-N-propylimidazole-4-carboxamide
CID 107973411
N-(2-aminoethyl)-N-cyclopentyl-1-methylimidazole-4-carboxamide
CID 107970866
N-ethyl-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 63299166
(1-methylimidazol-4-yl)-(3-methylpiperidin-4-yl)methanone
CID 130516291
N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzamide
CID 60806173
N-ethyl-2,5-dimethyl-N-pyrrolidin-3-ylfuran-3-carboxamide
CID 60807715
3-bromo-N-ethyl-5-fluoro-N-pyrrolidin-3-ylbenzamide
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CID 55026177

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide?
The IUPAC name of N-ethyl-1-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide (CID 107971834) is N-ethyl-1-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide.
What is the SMILES notation for N-ethyl-1-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide?
The canonical SMILES for N-ethyl-1-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide is CCN(C(=O)c1cn(C)cn1)C1CCNC1.
What is the InChIKey of N-ethyl-1-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide?
The InChIKey is UACNZDMLCLISIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-15(9-4-5-12-6-9)11(16)10-7-14(2)8-13-10/h7-9,12H,3-6H2,1-2H3.
What are the key properties of N-ethyl-1-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide?
N-ethyl-1-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-N-pyrrolidin-3-ylimidazole-4-carboxamide is sourced from PubChem (CID 107971834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).