N-(2-cyanoethyl)-1-methyl-N-propan-2-ylimidazole-4-carboxamide

C11H16N4O — CID 103859688

IUPACN-(2-cyanoethyl)-1-methyl-N-propan-2-ylimidazole-4-carboxamide
SMILESCC(C)N(CCC#N)C(=O)c1cn(C)cn1
InChIInChI=1S/C11H16N4O/c1-9(2)15(6-4-5-12)11(16)10-7-14(3)8-13-10/h7-9H,4,6H2,1-3H3
InChIKeyUPTALRRRSJMOFK-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.18
Rot. Bonds4

About N-(2-cyanoethyl)-1-methyl-N-propan-2-ylimidazole-4-carboxamide

N-(2-cyanoethyl)-1-methyl-N-propan-2-ylimidazole-4-carboxamide (PubChem CID 103859688) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is N-(2-cyanoethyl)-1-methyl-N-propan-2-ylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-1-methyl-N-propan-2-ylimidazole-4-carboxamide
PubChem CID103859688
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC NameN-(2-cyanoethyl)-1-methyl-N-propan-2-ylimidazole-4-carboxamide
SMILESCC(C)N(CCC#N)C(=O)c1cn(C)cn1
InChIInChI=1S/C11H16N4O/c1-9(2)15(6-4-5-12)11(16)10-7-14(3)8-13-10/h7-9H,4,6H2,1-3H3
InChIKeyUPTALRRRSJMOFK-UHFFFAOYSA-N
XLogP1.18
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-5-methyl-N-propan-2-ylpyrazine-2-carboxamide
CID 103636019
N-(2-cyanoethyl)-N-propan-2-ylthiadiazole-4-carboxamide
CID 62866184
4-amino-N-(2-cyanoethyl)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 65355273
6-[2-cyanoethyl(propan-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 54996635
N-(2-cyanoethyl)-1,3,5-trimethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 54996295
4-bromo-N-(2-cyanoethyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide
CID 54877538
N-[(2-aminophenyl)methyl]-1-methyl-N-propan-2-ylimidazole-4-carboxamide
CID 107970941
N-(2-cyanoethyl)-2-ethyl-5-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 62865824
N-(2-cyanoethyl)-4-hydroxy-N-propan-2-ylbenzamide
CID 54997018
2-chloro-N-(2-cyanoethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 61040490
4-bromo-N-(2-cyanoethyl)-N-propan-2-yl-1H-pyrrole-2-carboxamide
CID 55026442
5-amino-N-(2-cyanoethyl)-2-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 54917156

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-1-methyl-N-propan-2-ylimidazole-4-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-1-methyl-N-propan-2-ylimidazole-4-carboxamide (CID 103859688) is N-(2-cyanoethyl)-1-methyl-N-propan-2-ylimidazole-4-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-1-methyl-N-propan-2-ylimidazole-4-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-1-methyl-N-propan-2-ylimidazole-4-carboxamide is CC(C)N(CCC#N)C(=O)c1cn(C)cn1.
What is the InChIKey of N-(2-cyanoethyl)-1-methyl-N-propan-2-ylimidazole-4-carboxamide?
The InChIKey is UPTALRRRSJMOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-9(2)15(6-4-5-12)11(16)10-7-14(3)8-13-10/h7-9H,4,6H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-1-methyl-N-propan-2-ylimidazole-4-carboxamide?
N-(2-cyanoethyl)-1-methyl-N-propan-2-ylimidazole-4-carboxamide has a molecular weight of 220.28 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-1-methyl-N-propan-2-ylimidazole-4-carboxamide is sourced from PubChem (CID 103859688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).