N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]furan-2-carboxamide

C15H13N3O2 — CID 135533642

IUPACN-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]furan-2-carboxamide
SMILESCc1[nH]c2ccccc2c1/C=N\NC(=O)c1ccco1
InChIInChI=1S/C15H13N3O2/c1-10-12(11-5-2-3-6-13(11)17-10)9-16-18-15(19)14-7-4-8-20-14/h2-9,17H,1H3,(H,18,19)/b16-9-
InChIKeyCSGSFXSMWCBTGS-SXGWCWSVSA-N
MW267.29 g/mol
LogP2.83
Rot. Bonds3

About N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]furan-2-carboxamide

N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]furan-2-carboxamide (PubChem CID 135533642) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]furan-2-carboxamide
PubChem CID135533642
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC NameN-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]furan-2-carboxamide
SMILESCc1[nH]c2ccccc2c1/C=N\NC(=O)c1ccco1
InChIInChI=1S/C15H13N3O2/c1-10-12(11-5-2-3-6-13(11)17-10)9-16-18-15(19)14-7-4-8-20-14/h2-9,17H,1H3,(H,18,19)/b16-9-
InChIKeyCSGSFXSMWCBTGS-SXGWCWSVSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]furan-2-carboxamide (CID 135533642) is N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]furan-2-carboxamide is Cc1[nH]c2ccccc2c1/C=N\NC(=O)c1ccco1.
What is the InChIKey of N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]furan-2-carboxamide?
The InChIKey is CSGSFXSMWCBTGS-SXGWCWSVSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10-12(11-5-2-3-6-13(11)17-10)9-16-18-15(19)14-7-4-8-20-14/h2-9,17H,1H3,(H,18,19)/b16-9-.
What are the key properties of N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]furan-2-carboxamide?
N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]furan-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)-(2-methyl-1H-indol-3-yl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 135533642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).