N-[(Z)-1H-indol-3-ylmethylideneamino]-5-methylfuran-2-carboxamide

C15H13N3O2 — CID 135446585

IUPACN-[(Z)-1H-indol-3-ylmethylideneamino]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)N/N=C\c2c[nH]c3ccccc23)o1
InChIInChI=1S/C15H13N3O2/c1-10-6-7-14(20-10)15(19)18-17-9-11-8-16-13-5-3-2-4-12(11)13/h2-9,16H,1H3,(H,18,19)/b17-9-
InChIKeySGYXFNPXFYTOBA-MFOYZWKCSA-N
MW267.29 g/mol
LogP2.83
Rot. Bonds3

About N-[(Z)-1H-indol-3-ylmethylideneamino]-5-methylfuran-2-carboxamide

N-[(Z)-1H-indol-3-ylmethylideneamino]-5-methylfuran-2-carboxamide (PubChem CID 135446585) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[(Z)-1H-indol-3-ylmethylideneamino]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1H-indol-3-ylmethylideneamino]-5-methylfuran-2-carboxamide
PubChem CID135446585
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC NameN-[(Z)-1H-indol-3-ylmethylideneamino]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)N/N=C\c2c[nH]c3ccccc23)o1
InChIInChI=1S/C15H13N3O2/c1-10-6-7-14(20-10)15(19)18-17-9-11-8-16-13-5-3-2-4-12(11)13/h2-9,16H,1H3,(H,18,19)/b17-9-
InChIKeySGYXFNPXFYTOBA-MFOYZWKCSA-N
XLogP2.83
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-[(Z)-1H-indol-3-ylmethylideneamino]furan-2,5-dicarboxamide
CID 135782076
5-bromo-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide
CID 135688300
N-[(E)-1H-indol-3-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 135497938
5-(4-bromophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]furan-2-carboxamide
CID 135648367
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 137122771
N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylphenyl)acetamide
CID 172980542
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methylbenzamide
CID 135604376
3-N,5-N-bis[(E)-1H-indol-3-ylmethylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 135606906
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-methyloxamide
CID 135814043
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxybenzamide
CID 135458765

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1H-indol-3-ylmethylideneamino]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[(Z)-1H-indol-3-ylmethylideneamino]-5-methylfuran-2-carboxamide (CID 135446585) is N-[(Z)-1H-indol-3-ylmethylideneamino]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(Z)-1H-indol-3-ylmethylideneamino]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[(Z)-1H-indol-3-ylmethylideneamino]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)N/N=C\c2c[nH]c3ccccc23)o1.
What is the InChIKey of N-[(Z)-1H-indol-3-ylmethylideneamino]-5-methylfuran-2-carboxamide?
The InChIKey is SGYXFNPXFYTOBA-MFOYZWKCSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10-6-7-14(20-10)15(19)18-17-9-11-8-16-13-5-3-2-4-12(11)13/h2-9,16H,1H3,(H,18,19)/b17-9-.
What are the key properties of N-[(Z)-1H-indol-3-ylmethylideneamino]-5-methylfuran-2-carboxamide?
N-[(Z)-1H-indol-3-ylmethylideneamino]-5-methylfuran-2-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1H-indol-3-ylmethylideneamino]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 135446585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).