N-(2-formyl-1-methylimidazol-4-yl)-3-(methylamino)propanamide

C9H14N4O2 — CID 156823876

IUPACN-(2-formyl-1-methylimidazol-4-yl)-3-(methylamino)propanamide
SMILESCNCCC(=O)Nc1cn(C)c(C=O)n1
InChIInChI=1S/C9H14N4O2/c1-10-4-3-9(15)12-7-5-13(2)8(6-14)11-7/h5-6,10H,3-4H2,1-2H3,(H,12,15)
InChIKeyOLOLOQDOQLVQSO-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.22
Rot. Bonds5

About N-(2-formyl-1-methylimidazol-4-yl)-3-(methylamino)propanamide

N-(2-formyl-1-methylimidazol-4-yl)-3-(methylamino)propanamide (PubChem CID 156823876) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-(2-formyl-1-methylimidazol-4-yl)-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-(2-formyl-1-methylimidazol-4-yl)-3-(methylamino)propanamide
PubChem CID156823876
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC NameN-(2-formyl-1-methylimidazol-4-yl)-3-(methylamino)propanamide
SMILESCNCCC(=O)Nc1cn(C)c(C=O)n1
InChIInChI=1S/C9H14N4O2/c1-10-4-3-9(15)12-7-5-13(2)8(6-14)11-7/h5-6,10H,3-4H2,1-2H3,(H,12,15)
InChIKeyOLOLOQDOQLVQSO-UHFFFAOYSA-N
XLogP-0.22
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-formyl-1-methylimidazol-4-yl)-3-(methylamino)propanamide?
The IUPAC name of N-(2-formyl-1-methylimidazol-4-yl)-3-(methylamino)propanamide (CID 156823876) is N-(2-formyl-1-methylimidazol-4-yl)-3-(methylamino)propanamide.
What is the SMILES notation for N-(2-formyl-1-methylimidazol-4-yl)-3-(methylamino)propanamide?
The canonical SMILES for N-(2-formyl-1-methylimidazol-4-yl)-3-(methylamino)propanamide is CNCCC(=O)Nc1cn(C)c(C=O)n1.
What is the InChIKey of N-(2-formyl-1-methylimidazol-4-yl)-3-(methylamino)propanamide?
The InChIKey is OLOLOQDOQLVQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-10-4-3-9(15)12-7-5-13(2)8(6-14)11-7/h5-6,10H,3-4H2,1-2H3,(H,12,15).
What are the key properties of N-(2-formyl-1-methylimidazol-4-yl)-3-(methylamino)propanamide?
N-(2-formyl-1-methylimidazol-4-yl)-3-(methylamino)propanamide has a molecular weight of 210.24 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-formyl-1-methylimidazol-4-yl)-3-(methylamino)propanamide is sourced from PubChem (CID 156823876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).