4-amino-1-methyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide

C15H19N3O2 — CID 62379112

IUPAC4-amino-1-methyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide
SMILESCn1cc(N)cc1C(=O)NCCCOc1ccccc1
InChIInChI=1S/C15H19N3O2/c1-18-11-12(16)10-14(18)15(19)17-8-5-9-20-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9,16H2,1H3,(H,17,19)
InChIKeySEDKHUBMGUPUGO-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.81
Rot. Bonds6

About 4-amino-1-methyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide

4-amino-1-methyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide (PubChem CID 62379112) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-amino-1-methyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-methyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide
PubChem CID62379112
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-amino-1-methyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide
SMILESCn1cc(N)cc1C(=O)NCCCOc1ccccc1
InChIInChI=1S/C15H19N3O2/c1-18-11-12(16)10-14(18)15(19)17-8-5-9-20-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9,16H2,1H3,(H,17,19)
InChIKeySEDKHUBMGUPUGO-UHFFFAOYSA-N
XLogP1.81
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.81
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

4-bromo-1-methyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide
CID 60698861
3-phenoxypropyl 4-amino-1-methylpyrrole-2-carboxylate
CID 62936461
4-amino-1-methyl-N-octylpyrrole-2-carboxamide
CID 115565894
4-amino-1-methyl-N-(4-propan-2-yloxybutyl)pyrrole-2-carboxamide
CID 106006234
1-methyl-4-(2-methyl-1,3-thiazol-4-yl)-N-(3-phenoxypropyl)pyrrole-2-carboxamide
CID 71251029
3-amino-N-(3-phenoxypropyl)benzamide
CID 62074463
methyl 3-[(4-amino-1-methylpyrrole-2-carbonyl)amino]propanoate
CID 43665875
4-bromo-1-ethyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide
CID 62378773
4-amino-1-methyl-N-(2-phenoxyethyl)pyrazole-3-carboxamide
CID 65354090
4-amino-N-(3-phenoxypropyl)-1H-pyrrole-2-carboxamide
CID 62378932
4-amino-N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 43642341
5-amino-N-(3-phenoxypropyl)pyridine-2-carboxamide
CID 81315932

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-methyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide (CID 62379112) is 4-amino-1-methyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-methyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-methyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide is Cn1cc(N)cc1C(=O)NCCCOc1ccccc1.
What is the InChIKey of 4-amino-1-methyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide?
The InChIKey is SEDKHUBMGUPUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-18-11-12(16)10-14(18)15(19)17-8-5-9-20-13-6-3-2-4-7-13/h2-4,6-7,10-11H,5,8-9,16H2,1H3,(H,17,19).
What are the key properties of 4-amino-1-methyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide?
4-amino-1-methyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide is sourced from PubChem (CID 62379112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).