N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1H-indole-3-carboxamide

C20H22N4O — CID 6871904

IUPACN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1H-indole-3-carboxamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H22N4O/c1-3-24(4-2)16-11-9-15(10-12-16)13-22-23-20(25)18-14-21-19-8-6-5-7-17(18)19/h5-14,21H,3-4H2,1-2H3,(H,23,25)/b22-13+
InChIKeyRCDICQQSDPZLSM-LPYMAVHISA-N
MW334.42 g/mol
LogP3.78
Rot. Bonds6

About N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1H-indole-3-carboxamide

N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1H-indole-3-carboxamide (PubChem CID 6871904) 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-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1H-indole-3-carboxamide
PubChem CID6871904
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1H-indole-3-carboxamide
SMILESCCN(CC)c1ccc(/C=N/NC(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C20H22N4O/c1-3-24(4-2)16-11-9-15(10-12-16)13-22-23-20(25)18-14-21-19-8-6-5-7-17(18)19/h5-14,21H,3-4H2,1-2H3,(H,23,25)/b22-13+
InChIKeyRCDICQQSDPZLSM-LPYMAVHISA-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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1H-indole-3-carboxamide?
The IUPAC name of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1H-indole-3-carboxamide (CID 6871904) is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1H-indole-3-carboxamide is CCN(CC)c1ccc(/C=N/NC(=O)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1H-indole-3-carboxamide?
The InChIKey is RCDICQQSDPZLSM-LPYMAVHISA-N. The full InChI is InChI=1S/C20H22N4O/c1-3-24(4-2)16-11-9-15(10-12-16)13-22-23-20(25)18-14-21-19-8-6-5-7-17(18)19/h5-14,21H,3-4H2,1-2H3,(H,23,25)/b22-13+.
What are the key properties of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1H-indole-3-carboxamide?
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1H-indole-3-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-3-carboxamide is sourced from PubChem (CID 6871904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).