N-methyl-5-(methylamino)-3-propylimidazole-4-carboxamide

C9H16N4O — CID 14514285

IUPACN-methyl-5-(methylamino)-3-propylimidazole-4-carboxamide
SMILESCCCn1cnc(NC)c1C(=O)NC
InChIInChI=1S/C9H16N4O/c1-4-5-13-6-12-8(10-2)7(13)9(14)11-3/h6,10H,4-5H2,1-3H3,(H,11,14)
InChIKeyIHUNUHZWIQOXHW-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.69
Rot. Bonds4

About N-methyl-5-(methylamino)-3-propylimidazole-4-carboxamide

N-methyl-5-(methylamino)-3-propylimidazole-4-carboxamide (PubChem CID 14514285) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-methyl-5-(methylamino)-3-propylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(methylamino)-3-propylimidazole-4-carboxamide
PubChem CID14514285
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-methyl-5-(methylamino)-3-propylimidazole-4-carboxamide
SMILESCCCn1cnc(NC)c1C(=O)NC
InChIInChI=1S/C9H16N4O/c1-4-5-13-6-12-8(10-2)7(13)9(14)11-3/h6,10H,4-5H2,1-3H3,(H,11,14)
InChIKeyIHUNUHZWIQOXHW-UHFFFAOYSA-N
XLogP0.69
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(methylamino)-3-propylimidazole-4-carboxamide?
The IUPAC name of N-methyl-5-(methylamino)-3-propylimidazole-4-carboxamide (CID 14514285) is N-methyl-5-(methylamino)-3-propylimidazole-4-carboxamide.
What is the SMILES notation for N-methyl-5-(methylamino)-3-propylimidazole-4-carboxamide?
The canonical SMILES for N-methyl-5-(methylamino)-3-propylimidazole-4-carboxamide is CCCn1cnc(NC)c1C(=O)NC.
What is the InChIKey of N-methyl-5-(methylamino)-3-propylimidazole-4-carboxamide?
The InChIKey is IHUNUHZWIQOXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-4-5-13-6-12-8(10-2)7(13)9(14)11-3/h6,10H,4-5H2,1-3H3,(H,11,14).
What are the key properties of N-methyl-5-(methylamino)-3-propylimidazole-4-carboxamide?
N-methyl-5-(methylamino)-3-propylimidazole-4-carboxamide has a molecular weight of 196.25 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(methylamino)-3-propylimidazole-4-carboxamide is sourced from PubChem (CID 14514285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).