4-(4-aminophenoxy)-N-methyl-1H-pyrrole-2-carboxamide

C12H13N3O2 — CID 141180655

IUPAC4-(4-aminophenoxy)-N-methyl-1H-pyrrole-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(N)cc2)c[nH]1
InChIInChI=1S/C12H13N3O2/c1-14-12(16)11-6-10(7-15-11)17-9-4-2-8(13)3-5-9/h2-7,15H,13H2,1H3,(H,14,16)
InChIKeyVVSXSHYWUGYWTQ-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.75
Rot. Bonds3

About 4-(4-aminophenoxy)-N-methyl-1H-pyrrole-2-carboxamide

4-(4-aminophenoxy)-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 141180655) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-(4-aminophenoxy)-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(4-aminophenoxy)-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID141180655
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name4-(4-aminophenoxy)-N-methyl-1H-pyrrole-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(N)cc2)c[nH]1
InChIInChI=1S/C12H13N3O2/c1-14-12(16)11-6-10(7-15-11)17-9-4-2-8(13)3-5-9/h2-7,15H,13H2,1H3,(H,14,16)
InChIKeyVVSXSHYWUGYWTQ-UHFFFAOYSA-N
XLogP1.75
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-2-pyridinecarboxamide
CID 821516
N-(4-Ethoxyphenyl)picolinamide
CID 904031
4-(4-Aminophenoxy)-N-methylpicolinamide
CID 16655129
1H-Pyrrole-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 9928647
N-[2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl]-1H-pyrrole-2-carboxamide
CID 10087901
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1-methylpyrrole-2-carboxamide
CID 10315346
1H-Pyrrole-2-carboxylic acid {3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propyl}-amide
CID 10405125
4-(4-Amino-3-fluorophenoxy)-N-methylpyridine-2-carboxamide
CID 46835219
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-methyl-2-pyrrolecarboxamide
CID 25161990
[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 71724974
2-Amino-7-phenoxy-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
CID 135480573
N-cyclopropyl-3,5-dimethyl-4-[[6-(trifluoromethyl)-3-pyridinyl]oxy]-1H-pyrrole-2-carboxamide
CID 156010311

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenoxy)-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(4-aminophenoxy)-N-methyl-1H-pyrrole-2-carboxamide (CID 141180655) is 4-(4-aminophenoxy)-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(4-aminophenoxy)-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(4-aminophenoxy)-N-methyl-1H-pyrrole-2-carboxamide is CNC(=O)c1cc(Oc2ccc(N)cc2)c[nH]1.
What is the InChIKey of 4-(4-aminophenoxy)-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is VVSXSHYWUGYWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-14-12(16)11-6-10(7-15-11)17-9-4-2-8(13)3-5-9/h2-7,15H,13H2,1H3,(H,14,16).
What are the key properties of 4-(4-aminophenoxy)-N-methyl-1H-pyrrole-2-carboxamide?
4-(4-aminophenoxy)-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 1.75, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenoxy)-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 141180655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).