N-[(E)-(1-methylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide

C19H16N4O — CID 6878706

IUPACN-[(E)-(1-methylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide
SMILESCn1cc(/C=N/NC(=O)c2c[nH]c3ccccc23)c2ccccc21
InChIInChI=1S/C19H16N4O/c1-23-12-13(14-6-3-5-9-18(14)23)10-21-22-19(24)16-11-20-17-8-4-2-7-15(16)17/h2-12,20H,1H3,(H,22,24)/b21-10+
InChIKeyOUZXXCIDPGMJSI-UFFVCSGVSA-N
MW316.36 g/mol
LogP3.42
Rot. Bonds3

About N-[(E)-(1-methylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide

N-[(E)-(1-methylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide (PubChem CID 6878706) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[(E)-(1-methylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(1-methylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide
PubChem CID6878706
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC NameN-[(E)-(1-methylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide
SMILESCn1cc(/C=N/NC(=O)c2c[nH]c3ccccc23)c2ccccc21
InChIInChI=1S/C19H16N4O/c1-23-12-13(14-6-3-5-9-18(14)23)10-21-22-19(24)16-11-20-17-8-4-2-7-15(16)17/h2-12,20H,1H3,(H,22,24)/b21-10+
InChIKeyOUZXXCIDPGMJSI-UFFVCSGVSA-N
XLogP3.42
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.42
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'}

Analyze N-[(E)-(1-methylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[(Z)-(1H-indole-3-carbonylhydrazinylidene)methyl]indole-1-carboxylate
CID 11588540
2-chloro-N-[(E)-(1-methylindol-3-yl)methylideneamino]benzamide
CID 23476934
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 136661289
N-[(2-iodophenyl)methylideneamino]-1H-indole-3-carboxamide
CID 2165485
[(Z)-(1-methylindol-3-yl)methylideneamino]urea
CID 5407269
4-iodo-N-[(E)-(1-methylindol-3-yl)methylideneamino]benzamide
CID 53371356
N-[(Z)-(4-methylphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5410905
N-[(2,3-dimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 2329554
N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 6894239
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 135541710
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5339824
2-methyl-N-[(Z)-(1-methylindol-3-yl)methylideneamino]naphthalene-1-carboxamide
CID 110524912

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1-methylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide?
The IUPAC name of N-[(E)-(1-methylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide (CID 6878706) is N-[(E)-(1-methylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(E)-(1-methylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(E)-(1-methylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide is Cn1cc(/C=N/NC(=O)c2c[nH]c3ccccc23)c2ccccc21.
What is the InChIKey of N-[(E)-(1-methylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide?
The InChIKey is OUZXXCIDPGMJSI-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H16N4O/c1-23-12-13(14-6-3-5-9-18(14)23)10-21-22-19(24)16-11-20-17-8-4-2-7-15(16)17/h2-12,20H,1H3,(H,22,24)/b21-10+.
What are the key properties of N-[(E)-(1-methylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide?
N-[(E)-(1-methylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-methylindol-3-yl)methylideneamino]-1H-indole-3-carboxamide is sourced from PubChem (CID 6878706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).