5-[[1-(3,4-dihydroxyphenyl)cyclopropanecarbonyl]amino]-1H-indole-2-carboxamide

C19H17N3O4 — CID 71164182

IUPAC5-[[1-(3,4-dihydroxyphenyl)cyclopropanecarbonyl]amino]-1H-indole-2-carboxamide
SMILESNC(=O)c1cc2cc(NC(=O)C3(c4ccc(O)c(O)c4)CC3)ccc2[nH]1
InChIInChI=1S/C19H17N3O4/c20-17(25)14-8-10-7-12(2-3-13(10)22-14)21-18(26)19(5-6-19)11-1-4-15(23)16(24)9-11/h1-4,7-9,22-24H,5-6H2,(H2,20,25)(H,21,26)
InChIKeySMYBXJWFNYQSLN-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.35
Rot. Bonds4

About 5-[[1-(3,4-dihydroxyphenyl)cyclopropanecarbonyl]amino]-1H-indole-2-carboxamide

5-[[1-(3,4-dihydroxyphenyl)cyclopropanecarbonyl]amino]-1H-indole-2-carboxamide (PubChem CID 71164182) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 5-[[1-(3,4-dihydroxyphenyl)cyclopropanecarbonyl]amino]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-[[1-(3,4-dihydroxyphenyl)cyclopropanecarbonyl]amino]-1H-indole-2-carboxamide
PubChem CID71164182
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name5-[[1-(3,4-dihydroxyphenyl)cyclopropanecarbonyl]amino]-1H-indole-2-carboxamide
SMILESNC(=O)c1cc2cc(NC(=O)C3(c4ccc(O)c(O)c4)CC3)ccc2[nH]1
InChIInChI=1S/C19H17N3O4/c20-17(25)14-8-10-7-12(2-3-13(10)22-14)21-18(26)19(5-6-19)11-1-4-15(23)16(24)9-11/h1-4,7-9,22-24H,5-6H2,(H2,20,25)(H,21,26)
InChIKeySMYBXJWFNYQSLN-UHFFFAOYSA-N
XLogP2.35
TPSA128.44 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-[[1-(3-hydroxy-4-methoxyphenyl)cyclopropanecarbonyl]amino]-1H-indole-2-carboxylate
CID 163883552
ethyl 5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-2-carboxylate
CID 16752708
N-(2-tert-butyl-1H-indol-5-yl)-1-(3-fluoro-4-methylphenyl)cyclopropane-1-carboxamide
CID 134547462
N-(2-tert-butyl-1H-indol-5-yl)-1-(2-methyl-3H-benzimidazol-5-yl)cyclopropane-1-carboxamide
CID 46199555
CID 143559102
CID 143559102
N-(2-tert-butyl-1H-indol-5-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxamide
CID 24762820
CID 143559101
CID 143559101
1-(1,3-benzodioxol-5-yl)-N-(2-cyclopropyl-1H-indol-5-yl)cyclopropane-1-carboxamide
CID 59129162
1-(3,4-dihydroxyphenyl)-N-[4-methyl-3-(4-sulfamoylphenyl)phenyl]cyclopropane-1-carboxamide
CID 71174077
N-(2-tert-butyl-6-fluoro-1H-indol-5-yl)-1-(3,4-dihydroxyphenyl)cyclopropane-1-carboxamide
CID 70890563
1-amino-N-(2-methyl-1H-indol-5-yl)cyclohexane-1-carboxamide
CID 119279938
1-(3,4-dihydroxyphenyl)-N-[3-[4-(hydroxymethyl)phenyl]-4-methylphenyl]cyclopropane-1-carboxamide
CID 71174082

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(3,4-dihydroxyphenyl)cyclopropanecarbonyl]amino]-1H-indole-2-carboxamide?
The IUPAC name of 5-[[1-(3,4-dihydroxyphenyl)cyclopropanecarbonyl]amino]-1H-indole-2-carboxamide (CID 71164182) is 5-[[1-(3,4-dihydroxyphenyl)cyclopropanecarbonyl]amino]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-[[1-(3,4-dihydroxyphenyl)cyclopropanecarbonyl]amino]-1H-indole-2-carboxamide?
The canonical SMILES for 5-[[1-(3,4-dihydroxyphenyl)cyclopropanecarbonyl]amino]-1H-indole-2-carboxamide is NC(=O)c1cc2cc(NC(=O)C3(c4ccc(O)c(O)c4)CC3)ccc2[nH]1.
What is the InChIKey of 5-[[1-(3,4-dihydroxyphenyl)cyclopropanecarbonyl]amino]-1H-indole-2-carboxamide?
The InChIKey is SMYBXJWFNYQSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c20-17(25)14-8-10-7-12(2-3-13(10)22-14)21-18(26)19(5-6-19)11-1-4-15(23)16(24)9-11/h1-4,7-9,22-24H,5-6H2,(H2,20,25)(H,21,26).
What are the key properties of 5-[[1-(3,4-dihydroxyphenyl)cyclopropanecarbonyl]amino]-1H-indole-2-carboxamide?
5-[[1-(3,4-dihydroxyphenyl)cyclopropanecarbonyl]amino]-1H-indole-2-carboxamide has a molecular weight of 351.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(3,4-dihydroxyphenyl)cyclopropanecarbonyl]amino]-1H-indole-2-carboxamide is sourced from PubChem (CID 71164182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).