N-[3-(cyclopropylamino)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide

C10H16N4O2 — CID 43596296

IUPACN-[3-(cyclopropylamino)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESO=C(NCCCNC1CC1)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C10H16N4O2/c15-9(8-6-13-10(16)14-8)12-5-1-4-11-7-2-3-7/h6-7,11H,1-5H2,(H,12,15)(H2,13,14,16)
InChIKeyAWKZPDMLVJESHS-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.43
Rot. Bonds6

About N-[3-(cyclopropylamino)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide

N-[3-(cyclopropylamino)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 43596296) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID43596296
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-[3-(cyclopropylamino)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESO=C(NCCCNC1CC1)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C10H16N4O2/c15-9(8-6-13-10(16)14-8)12-5-1-4-11-7-2-3-7/h6-7,11H,1-5H2,(H,12,15)(H2,13,14,16)
InChIKeyAWKZPDMLVJESHS-UHFFFAOYSA-N
XLogP-0.43
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 23629745
2-oxo-N-propyl-1,3-dihydroimidazole-4-carboxamide
CID 23629747
N-Isopropyl-2-oxo-2,3-dihydro-1H-imidazole-4-carboxamide
CID 23629749
N-butyl-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 23629775
N-(2-methylpropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 53979080
N-butan-2-yl-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 123377905
N-(3-aminopropyl)-2-methyl-5-(propylamino)-2,3-dihydro-1H-imidazole-4-carboxamide
CID 143405365
3-cyclopropyl-N-[(3S,4S)-4-methyl-1-propan-2-ylpyrrolidin-3-yl]-1,2-dihydroimidazole-5-carboxamide
CID 145040181
2-N,2-dimethyl-1,3-dihydroimidazole-2,4-dicarboxamide
CID 153919383
N-piperidin-4-yl-2,3-dihydro-1H-imidazole-4-carboxamide
CID 163910569
5-(Cyclopropylamino)-1,3-dimethylpyrimidine-2,4-dione
CID 175926763
N-(2,4-dihydroxypyrimidin-5-yl)-N'-[3-(dimethylamino)propyl]ethanediamide
CID 17597508

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-[3-(cyclopropylamino)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 43596296) is N-[3-(cyclopropylamino)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylamino)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-[3-(cyclopropylamino)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide is O=C(NCCCNC1CC1)c1c[nH]c(=O)[nH]1.
What is the InChIKey of N-[3-(cyclopropylamino)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is AWKZPDMLVJESHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c15-9(8-6-13-10(16)14-8)12-5-1-4-11-7-2-3-7/h6-7,11H,1-5H2,(H,12,15)(H2,13,14,16).
What are the key properties of N-[3-(cyclopropylamino)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
N-[3-(cyclopropylamino)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 224.26 g/mol, XLogP of -0.43, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 43596296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).