N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1H-indole-6-carboxamide

C20H22N4O — CID 164880554

IUPACN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1H-indole-6-carboxamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccc3cc[nH]c3c2)cc1
InChIInChI=1S/C20H22N4O/c1-3-24(4-2)18-9-5-15(6-10-18)14-22-23-20(25)17-8-7-16-11-12-21-19(16)13-17/h5-14,21H,3-4H2,1-2H3,(H,23,25)/b22-14+
InChIKeyUBCYLUOCAFLIDZ-HYARGMPZSA-N
MW334.42 g/mol
LogP3.78
Rot. Bonds6

About N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1H-indole-6-carboxamide

N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1H-indole-6-carboxamide (PubChem CID 164880554) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1H-indole-6-carboxamide
PubChem CID164880554
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1H-indole-6-carboxamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2ccc3cc[nH]c3c2)cc1
InChIInChI=1S/C20H22N4O/c1-3-24(4-2)18-9-5-15(6-10-18)14-22-23-20(25)17-8-7-16-11-12-21-19(16)13-17/h5-14,21H,3-4H2,1-2H3,(H,23,25)/b22-14+
InChIKeyUBCYLUOCAFLIDZ-HYARGMPZSA-N
XLogP3.78
TPSA60.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.78
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

N-[(E)-[4-(diethylamino)phenyl]methylideneamino]naphthalene-2-carboxamide
CID 6882997
N-[[4-(diethylamino)phenyl]methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 2592801
4-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzene-1,4-dicarboxamide
CID 164880526
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-hydroxybenzamide
CID 5410903
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-methoxybenzamide
CID 5372104
4-chloro-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 872196
4-bromo-N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 5373596
N-[[4-(diethylamino)phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 2330939
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-3-methoxybenzamide
CID 6027249
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide
CID 6900909
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-(propanoylamino)benzamide
CID 5432105
4-(aminomethyl)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzamide;hydrochloride
CID 119057126

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1H-indole-6-carboxamide?
The IUPAC name of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1H-indole-6-carboxamide (CID 164880554) is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1H-indole-6-carboxamide?
The canonical SMILES for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1H-indole-6-carboxamide is CCN(CC)c1ccc(/C=N/NC(=O)c2ccc3cc[nH]c3c2)cc1.
What is the InChIKey of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1H-indole-6-carboxamide?
The InChIKey is UBCYLUOCAFLIDZ-HYARGMPZSA-N. The full InChI is InChI=1S/C20H22N4O/c1-3-24(4-2)18-9-5-15(6-10-18)14-22-23-20(25)17-8-7-16-11-12-21-19(16)13-17/h5-14,21H,3-4H2,1-2H3,(H,23,25)/b22-14+.
What are the key properties of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1H-indole-6-carboxamide?
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1H-indole-6-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1H-indole-6-carboxamide is sourced from PubChem (CID 164880554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).