N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-1H-indole-3-carboxamide

C19H19N3O3 — CID 6260157

IUPACN-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-1H-indole-3-carboxamide
SMILESCOc1ccc(OC)c(/C(C)=N\NC(=O)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C19H19N3O3/c1-12(15-10-13(24-2)8-9-18(15)25-3)21-22-19(23)16-11-20-17-7-5-4-6-14(16)17/h4-11,20H,1-3H3,(H,22,23)/b21-12-
InChIKeySQRKYWOCYCQUKV-MTJSOVHGSA-N
MW337.38 g/mol
LogP3.34
Rot. Bonds5

About N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-1H-indole-3-carboxamide

N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-1H-indole-3-carboxamide (PubChem CID 6260157) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-1H-indole-3-carboxamide
PubChem CID6260157
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-1H-indole-3-carboxamide
SMILESCOc1ccc(OC)c(/C(C)=N\NC(=O)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C19H19N3O3/c1-12(15-10-13(24-2)8-9-18(15)25-3)21-22-19(23)16-11-20-17-7-5-4-6-14(16)17/h4-11,20H,1-3H3,(H,22,23)/b21-12-
InChIKeySQRKYWOCYCQUKV-MTJSOVHGSA-N
XLogP3.34
TPSA75.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[(E)-1-(1H-indol-3-yl)ethylideneamino]-4-methoxybenzamide
CID 135647008
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5414551
N-[1-(2,5-dimethoxyphenyl)ethylideneamino]pyridine-2-carboxamide
CID 5238816
N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-4-methoxybenzamide
CID 9359358
N-(propan-2-ylideneamino)-1H-indole-3-carboxamide
CID 3706712
2-hydroxy-N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzamide
CID 136801988
N-[1-(4-fluorophenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 3109037
N-[(Z)-1-(5-methylfuran-2-yl)ethylideneamino]-1H-indole-3-carboxamide
CID 5411742
N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]furan-2-carboxamide
CID 9175469
N-[(Z)-1-(3-bromophenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 6242879
N-[1-(furan-2-yl)ethylideneamino]-1H-indole-3-carboxamide
CID 807650
N-[(E)-1-(furan-2-yl)ethylideneamino]-1H-indole-3-carboxamide
CID 5340769

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-1H-indole-3-carboxamide?
The IUPAC name of N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-1H-indole-3-carboxamide (CID 6260157) is N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-1H-indole-3-carboxamide is COc1ccc(OC)c(/C(C)=N\NC(=O)c2c[nH]c3ccccc23)c1.
What is the InChIKey of N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-1H-indole-3-carboxamide?
The InChIKey is SQRKYWOCYCQUKV-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-12(15-10-13(24-2)8-9-18(15)25-3)21-22-19(23)16-11-20-17-7-5-4-6-14(16)17/h4-11,20H,1-3H3,(H,22,23)/b21-12-.
What are the key properties of N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-1H-indole-3-carboxamide?
N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-1H-indole-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-1H-indole-3-carboxamide is sourced from PubChem (CID 6260157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).