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

C8H14N4O2 — CID 43600591

IUPACN-[3-(methylamino)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCNCCCNC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C8H14N4O2/c1-9-3-2-4-10-7(13)6-5-11-8(14)12-6/h5,9H,2-4H2,1H3,(H,10,13)(H2,11,12,14)
InChIKeyMVOXOLZLYDIIGN-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.96
Rot. Bonds5

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

N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide (PubChem CID 43600591) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
PubChem CID43600591
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC NameN-[3-(methylamino)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
SMILESCNCCCNC(=O)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C8H14N4O2/c1-9-3-2-4-10-7(13)6-5-11-8(14)12-6/h5,9H,2-4H2,1H3,(H,10,13)(H2,11,12,14)
InChIKeyMVOXOLZLYDIIGN-UHFFFAOYSA-N
XLogP-0.96
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.96
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide (CID 43600591) is N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide is CNCCCNC(=O)c1c[nH]c(=O)[nH]1.
What is the InChIKey of N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is MVOXOLZLYDIIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-9-3-2-4-10-7(13)6-5-11-8(14)12-6/h5,9H,2-4H2,1H3,(H,10,13)(H2,11,12,14).
What are the key properties of N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide?
N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 198.23 g/mol, XLogP of -0.96, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 43600591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).