4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide

C9H15N3O2 — CID 43641937

IUPAC4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
SMILESCOCCNC(=O)c1cc(N)cn1C
InChIInChI=1S/C9H15N3O2/c1-12-6-7(10)5-8(12)9(13)11-3-4-14-2/h5-6H,3-4,10H2,1-2H3,(H,11,13)
InChIKeyHSBOBBWWQGALCR-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.02
Rot. Bonds4

About 4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide

4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide (PubChem CID 43641937) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
PubChem CID43641937
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
SMILESCOCCNC(=O)c1cc(N)cn1C
InChIInChI=1S/C9H15N3O2/c1-12-6-7(10)5-8(12)9(13)11-3-4-14-2/h5-6H,3-4,10H2,1-2H3,(H,11,13)
InChIKeyHSBOBBWWQGALCR-UHFFFAOYSA-N
XLogP-0.02
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(4-amino-1-methylpyrrole-2-carbonyl)amino]propanoate
CID 43665875
N-(2-methoxyethyl)-1,4-dimethylpyrrole-2-carboxamide
CID 59268176
4-amino-1-methyl-N-(4-propan-2-yloxybutyl)pyrrole-2-carboxamide
CID 106006234
4-amino-1-methyl-N-octylpyrrole-2-carboxamide
CID 115565894
4-amino-1-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrrole-2-carboxamide
CID 62636568
4-amino-1-methyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide
CID 62379112
4-amino-N-[2-(diaminomethylideneamino)ethyl]-1-methylpyrrole-2-carboxamide
CID 85397824
4-amino-N-(4-hydroxypentyl)-1-methylpyrrole-2-carboxamide
CID 106118881
4-amino-N-(2,2-dichloroethyl)-1-methylpyrrole-2-carboxamide
CID 130551753
4-amino-1-methyl-N-[2-[(1-methyldiaziridin-3-yl)amino]ethyl]pyrrole-2-carboxamide
CID 70121205
4-amino-N-[5-(2-aminoethylcarbamoyl)-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide
CID 69176970
4-amino-N-[[2-(methoxymethyl)phenyl]methyl]-1-methylpyrrole-2-carboxamide
CID 61102561

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide (CID 43641937) is 4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide is COCCNC(=O)c1cc(N)cn1C.
What is the InChIKey of 4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide?
The InChIKey is HSBOBBWWQGALCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-12-6-7(10)5-8(12)9(13)11-3-4-14-2/h5-6H,3-4,10H2,1-2H3,(H,11,13).
What are the key properties of 4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide?
4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide has a molecular weight of 197.24 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 43641937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).