5-(5-amino-2-phenoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide

C18H17N3O2 — CID 90413429

IUPAC5-(5-amino-2-phenoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2cc(N)ccc2Oc2ccccc2)cc1C(N)=O
InChIInChI=1S/C18H17N3O2/c1-11-14(18(20)22)10-16(21-11)15-9-12(19)7-8-17(15)23-13-5-3-2-4-6-13/h2-10,21H,19H2,1H3,(H2,20,22)
InChIKeyCUUGHSOYWQABPW-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.46
Rot. Bonds4

About 5-(5-amino-2-phenoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide

5-(5-amino-2-phenoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide (PubChem CID 90413429) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 5-(5-amino-2-phenoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(5-amino-2-phenoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide
PubChem CID90413429
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name5-(5-amino-2-phenoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide
SMILESCc1[nH]c(-c2cc(N)ccc2Oc2ccccc2)cc1C(N)=O
InChIInChI=1S/C18H17N3O2/c1-11-14(18(20)22)10-16(21-11)15-9-12(19)7-8-17(15)23-13-5-3-2-4-6-13/h2-10,21H,19H2,1H3,(H2,20,22)
InChIKeyCUUGHSOYWQABPW-UHFFFAOYSA-N
XLogP3.46
TPSA94.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-Methyl-4-Oxo-4,5,6,7-Tetrahydro-2h-Isoindol-1-Yl)-4-Phenoxyphenyl]methanesulfonamide
CID 71760902
5-[2-(4-Chlorophenoxy)phenyl]-2-Methyl-1h-Pyrrole-3-Carboxamide
CID 90413480
N-[3-(7-Methyl-1-Oxo-2,6-Dihydro-1h-Pyrrolo[3,4-D]pyridazin-5-Yl)-4-Phenoxyphenyl]ethanesulfonamide
CID 135567317
2-(3-Methoxy-phenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
CID 24809725
2-(2-Methoxy-phenyl)-5-pyridin-4-yl-1H-pyrrole-3-carboxamide
CID 49788792
US9776990, Example 2
CID 71811973
US9776990, Example 46
CID 71812037
1-(5-amino-2-phenoxyphenyl)-3-methyl-2,5,6,7-tetrahydro-4H-isoindol-4-one
CID 71812048
3-Methyl-1-(2-phenoxyphenyl)-2,5-dihydropyrrolo[3,4-c]pyridin-4-one
CID 86270617
N-[4-(2,4-difluorophenoxy)-3-(3-methyl-4-oxo-2,5,6,7-tetrahydropyrrolo[3,4-c]pyridin-1-yl)phenyl]methanesulfonamide
CID 86271751
3-methyl-1-(2-phenoxyphenyl)-6,7-dihydro-2H-pyrrolo[3,4-c]pyridin-4(5H)-one
CID 86271752
2-methyl-5-(2-phenoxyphenyl)-1H-pyrrole-3-carboxamide
CID 86299218

Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-2-phenoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-(5-amino-2-phenoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide (CID 90413429) is 5-(5-amino-2-phenoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-(5-amino-2-phenoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-(5-amino-2-phenoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide is Cc1[nH]c(-c2cc(N)ccc2Oc2ccccc2)cc1C(N)=O.
What is the InChIKey of 5-(5-amino-2-phenoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is CUUGHSOYWQABPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-11-14(18(20)22)10-16(21-11)15-9-12(19)7-8-17(15)23-13-5-3-2-4-6-13/h2-10,21H,19H2,1H3,(H2,20,22).
What are the key properties of 5-(5-amino-2-phenoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide?
5-(5-amino-2-phenoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 3.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-2-phenoxyphenyl)-2-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 90413429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).