3-methyl-N-propylimidazole-4-carboxamide

C8H13N3O — CID 23552392

IUPAC3-methyl-N-propylimidazole-4-carboxamide
SMILESCCCNC(=O)c1cncn1C
InChIInChI=1S/C8H13N3O/c1-3-4-10-8(12)7-5-9-6-11(7)2/h5-6H,3-4H2,1-2H3,(H,10,12)
InChIKeyDYONJFLYUFJPJZ-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.56
Rot. Bonds3

About 3-methyl-N-propylimidazole-4-carboxamide

3-methyl-N-propylimidazole-4-carboxamide (PubChem CID 23552392) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-methyl-N-propylimidazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-propylimidazole-4-carboxamide
PubChem CID23552392
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-methyl-N-propylimidazole-4-carboxamide
SMILESCCCNC(=O)c1cncn1C
InChIInChI=1S/C8H13N3O/c1-3-4-10-8(12)7-5-9-6-11(7)2/h5-6H,3-4H2,1-2H3,(H,10,12)
InChIKeyDYONJFLYUFJPJZ-UHFFFAOYSA-N
XLogP0.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloropropyl)-3-methylimidazole-4-carboxamide
CID 103511152
N-(2-cyanoethyl)-3-methylimidazole-4-carboxamide
CID 103510931
6-[(3-methylimidazole-4-carbonyl)amino]hexanoic acid
CID 103510365
2-hydroxy-4-[(3-methylimidazole-4-carbonyl)amino]butanoic acid
CID 107832370
(2S)-2-hydroxy-4-[(3-methylimidazole-4-carbonyl)amino]butanoic acid
CID 107834565
N-(2-bromopentyl)-3-methylimidazole-4-carboxamide
CID 103512206
3-methyl-N-(2,2,2-trifluoroethyl)imidazole-4-carboxamide
CID 126796065
N-[3-(2-hydroxyethoxy)propyl]-3-methylimidazole-4-carboxamide
CID 106305682
N-[3-(cyclopropylamino)propyl]-3-methylimidazole-4-carboxamide
CID 103511511
N-(3-ethyl-2-hydroxypentyl)-3-methylimidazole-4-carboxamide
CID 107261964
N-[(4Z)-4-amino-4-hydroxyiminobutyl]-3-methylimidazole-4-carboxamide
CID 103511885
N-(5-chloro-4-methylpentyl)-3-methylimidazole-4-carboxamide
CID 106156832

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propylimidazole-4-carboxamide?
The IUPAC name of 3-methyl-N-propylimidazole-4-carboxamide (CID 23552392) is 3-methyl-N-propylimidazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-propylimidazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-propylimidazole-4-carboxamide is CCCNC(=O)c1cncn1C.
What is the InChIKey of 3-methyl-N-propylimidazole-4-carboxamide?
The InChIKey is DYONJFLYUFJPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-3-4-10-8(12)7-5-9-6-11(7)2/h5-6H,3-4H2,1-2H3,(H,10,12).
What are the key properties of 3-methyl-N-propylimidazole-4-carboxamide?
3-methyl-N-propylimidazole-4-carboxamide has a molecular weight of 167.21 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propylimidazole-4-carboxamide is sourced from PubChem (CID 23552392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).