N-[(3,4-dihydroxyphenyl)methylideneamino]-1-methylindole-3-carboxamide

C17H15N3O3 — CID 910419

IUPACN-[(3,4-dihydroxyphenyl)methylideneamino]-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)NN=Cc2ccc(O)c(O)c2)c2ccccc21
InChIInChI=1S/C17H15N3O3/c1-20-10-13(12-4-2-3-5-14(12)20)17(23)19-18-9-11-6-7-15(21)16(22)8-11/h2-10,21-22H,1H3,(H,19,23)
InChIKeyNPSQOXJFBTZLBO-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.35
Rot. Bonds3

About N-[(3,4-dihydroxyphenyl)methylideneamino]-1-methylindole-3-carboxamide

N-[(3,4-dihydroxyphenyl)methylideneamino]-1-methylindole-3-carboxamide (PubChem CID 910419) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[(3,4-dihydroxyphenyl)methylideneamino]-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dihydroxyphenyl)methylideneamino]-1-methylindole-3-carboxamide
PubChem CID910419
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN-[(3,4-dihydroxyphenyl)methylideneamino]-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)NN=Cc2ccc(O)c(O)c2)c2ccccc21
InChIInChI=1S/C17H15N3O3/c1-20-10-13(12-4-2-3-5-14(12)20)17(23)19-18-9-11-6-7-15(21)16(22)8-11/h2-10,21-22H,1H3,(H,19,23)
InChIKeyNPSQOXJFBTZLBO-UHFFFAOYSA-N
XLogP2.35
TPSA86.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]indole-3-carboxamide
CID 8984307
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-methyl-4-oxophthalazine-1-carboxamide
CID 135811255
2-chloro-N-[(E)-(1-methylindol-3-yl)methylideneamino]benzamide
CID 23476934
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135544851
1-methyl-4-oxo-N-[(E)-thiophen-2-ylmethylideneamino]quinoline-3-carboxamide
CID 162513707
1-methyl-4-oxo-N-(thiophen-2-ylmethylideneamino)quinoline-3-carboxamide
CID 175202707
N-[(E)-(1-methylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide
CID 6878706
1-methyl-N-[(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]indole-3-carboxamide
CID 4507616
5-chloro-N-[(3,4-dihydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 840452
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 135730571
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]acetamide;hydrate
CID 139076968
3-chloro-N-[(3,4-dihydroxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 899677

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dihydroxyphenyl)methylideneamino]-1-methylindole-3-carboxamide?
The IUPAC name of N-[(3,4-dihydroxyphenyl)methylideneamino]-1-methylindole-3-carboxamide (CID 910419) is N-[(3,4-dihydroxyphenyl)methylideneamino]-1-methylindole-3-carboxamide.
What is the SMILES notation for N-[(3,4-dihydroxyphenyl)methylideneamino]-1-methylindole-3-carboxamide?
The canonical SMILES for N-[(3,4-dihydroxyphenyl)methylideneamino]-1-methylindole-3-carboxamide is Cn1cc(C(=O)NN=Cc2ccc(O)c(O)c2)c2ccccc21.
What is the InChIKey of N-[(3,4-dihydroxyphenyl)methylideneamino]-1-methylindole-3-carboxamide?
The InChIKey is NPSQOXJFBTZLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-20-10-13(12-4-2-3-5-14(12)20)17(23)19-18-9-11-6-7-15(21)16(22)8-11/h2-10,21-22H,1H3,(H,19,23).
What are the key properties of N-[(3,4-dihydroxyphenyl)methylideneamino]-1-methylindole-3-carboxamide?
N-[(3,4-dihydroxyphenyl)methylideneamino]-1-methylindole-3-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 2.35, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dihydroxyphenyl)methylideneamino]-1-methylindole-3-carboxamide is sourced from PubChem (CID 910419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).