4-amino-1-cyclopropyl-N-(2-ethoxyethyl)pyrrole-2-carboxamide

C12H19N3O2 — CID 43644088

IUPAC4-amino-1-cyclopropyl-N-(2-ethoxyethyl)pyrrole-2-carboxamide
SMILESCCOCCNC(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C12H19N3O2/c1-2-17-6-5-14-12(16)11-7-9(13)8-15(11)10-3-4-10/h7-8,10H,2-6,13H2,1H3,(H,14,16)
InChIKeyMCANQMIZFJHXRS-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.17
Rot. Bonds6

About 4-amino-1-cyclopropyl-N-(2-ethoxyethyl)pyrrole-2-carboxamide

4-amino-1-cyclopropyl-N-(2-ethoxyethyl)pyrrole-2-carboxamide (PubChem CID 43644088) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-N-(2-ethoxyethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-N-(2-ethoxyethyl)pyrrole-2-carboxamide
PubChem CID43644088
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-amino-1-cyclopropyl-N-(2-ethoxyethyl)pyrrole-2-carboxamide
SMILESCCOCCNC(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C12H19N3O2/c1-2-17-6-5-14-12(16)11-7-9(13)8-15(11)10-3-4-10/h7-8,10H,2-6,13H2,1H3,(H,14,16)
InChIKeyMCANQMIZFJHXRS-UHFFFAOYSA-N
XLogP1.17
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.17
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

3-ethoxypropyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 65180401
4-amino-N-(3-amino-3-oxopropyl)-1-cyclopropylpyrrole-2-carboxamide
CID 43643776
4-amino-1-cyclopropyl-N-(3-methylsulfanylbutyl)pyrrole-2-carboxamide
CID 113493826
ethoxymethyl 4-amino-1-cyclopropylpyrrole-2-carboxylate
CID 65366812
4-amino-1-cyclopropyl-N-[(4-ethylphenyl)methyl]pyrrole-2-carboxamide
CID 106899099
4-amino-N-(cyclohexylmethyl)-1-cyclopropylpyrrole-2-carboxamide
CID 43643527
4-amino-1-cyclopropyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 43642172
4-amino-1-cyclopropyl-N-(2,3-dimethylbutyl)pyrrole-2-carboxamide
CID 64569791
4-amino-1-cyclopropyl-N-hex-5-ynylpyrrole-2-carboxamide
CID 114158303
4-amino-1-cyclopropyl-N-prop-2-enylpyrrole-2-carboxamide
CID 61117214
4-amino-1-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrole-2-carboxamide
CID 107864320
4-bromo-1-cyclopropyl-N-(2-methoxyethyl)pyrrole-2-carboxamide
CID 43640614

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-N-(2-ethoxyethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-cyclopropyl-N-(2-ethoxyethyl)pyrrole-2-carboxamide (CID 43644088) is 4-amino-1-cyclopropyl-N-(2-ethoxyethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-cyclopropyl-N-(2-ethoxyethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-cyclopropyl-N-(2-ethoxyethyl)pyrrole-2-carboxamide is CCOCCNC(=O)c1cc(N)cn1C1CC1.
What is the InChIKey of 4-amino-1-cyclopropyl-N-(2-ethoxyethyl)pyrrole-2-carboxamide?
The InChIKey is MCANQMIZFJHXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-17-6-5-14-12(16)11-7-9(13)8-15(11)10-3-4-10/h7-8,10H,2-6,13H2,1H3,(H,14,16).
What are the key properties of 4-amino-1-cyclopropyl-N-(2-ethoxyethyl)pyrrole-2-carboxamide?
4-amino-1-cyclopropyl-N-(2-ethoxyethyl)pyrrole-2-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-N-(2-ethoxyethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 43644088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).