2-phenyl-N-(pyridin-3-ylmethylideneamino)-1H-indole-7-carboxamide

C21H16N4O — CID 3532877

IUPAC2-phenyl-N-(pyridin-3-ylmethylideneamino)-1H-indole-7-carboxamide
SMILESO=C(NN=Cc1cccnc1)c1cccc2cc(-c3ccccc3)[nH]c12
InChIInChI=1S/C21H16N4O/c26-21(25-23-14-15-6-5-11-22-13-15)18-10-4-9-17-12-19(24-20(17)18)16-7-2-1-3-8-16/h1-14,24H,(H,25,26)
InChIKeyIAKATZOYSMMHEA-UHFFFAOYSA-N
MW340.39 g/mol
LogP3.99
Rot. Bonds4

About 2-phenyl-N-(pyridin-3-ylmethylideneamino)-1H-indole-7-carboxamide

2-phenyl-N-(pyridin-3-ylmethylideneamino)-1H-indole-7-carboxamide (PubChem CID 3532877) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is 2-phenyl-N-(pyridin-3-ylmethylideneamino)-1H-indole-7-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(pyridin-3-ylmethylideneamino)-1H-indole-7-carboxamide
PubChem CID3532877
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC Name2-phenyl-N-(pyridin-3-ylmethylideneamino)-1H-indole-7-carboxamide
SMILESO=C(NN=Cc1cccnc1)c1cccc2cc(-c3ccccc3)[nH]c12
InChIInChI=1S/C21H16N4O/c26-21(25-23-14-15-6-5-11-22-13-15)18-10-4-9-17-12-19(24-20(17)18)16-7-2-1-3-8-16/h1-14,24H,(H,25,26)
InChIKeyIAKATZOYSMMHEA-UHFFFAOYSA-N
XLogP3.99
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.99
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 2-phenyl-N-(pyridin-3-ylmethylideneamino)-1H-indole-7-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

4,6-diphenyl-N-(pyridin-3-ylmethylideneamino)pyrimidine-2-carboxamide
CID 1381235
1-hydroxy-N-[(Z)-pyridin-3-ylmethylideneamino]naphthalene-2-carboxamide
CID 5412473
3-(4-phenylphenyl)-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 1128550
1,5-diphenyl-N-[(Z)-pyridin-3-ylmethylideneamino]-1,2,4-triazole-3-carboxamide
CID 29227850
4-methyl-3-phenyl-N-(pyridin-3-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 3491644
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 9078588
2-N,5-N-bis(pyridin-3-ylmethylideneamino)furan-2,5-dicarboxamide
CID 4674781
N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide
CID 6870358
2-(4-methoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 25237207
2-(2,5-dimethylphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide
CID 24818728
N-[(Z)-naphthalen-2-ylmethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 9078505
N-[[3-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-3-carboxamide
CID 1379516

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(pyridin-3-ylmethylideneamino)-1H-indole-7-carboxamide?
The IUPAC name of 2-phenyl-N-(pyridin-3-ylmethylideneamino)-1H-indole-7-carboxamide (CID 3532877) is 2-phenyl-N-(pyridin-3-ylmethylideneamino)-1H-indole-7-carboxamide.
What is the SMILES notation for 2-phenyl-N-(pyridin-3-ylmethylideneamino)-1H-indole-7-carboxamide?
The canonical SMILES for 2-phenyl-N-(pyridin-3-ylmethylideneamino)-1H-indole-7-carboxamide is O=C(NN=Cc1cccnc1)c1cccc2cc(-c3ccccc3)[nH]c12.
What is the InChIKey of 2-phenyl-N-(pyridin-3-ylmethylideneamino)-1H-indole-7-carboxamide?
The InChIKey is IAKATZOYSMMHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O/c26-21(25-23-14-15-6-5-11-22-13-15)18-10-4-9-17-12-19(24-20(17)18)16-7-2-1-3-8-16/h1-14,24H,(H,25,26).
What are the key properties of 2-phenyl-N-(pyridin-3-ylmethylideneamino)-1H-indole-7-carboxamide?
2-phenyl-N-(pyridin-3-ylmethylideneamino)-1H-indole-7-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(pyridin-3-ylmethylideneamino)-1H-indole-7-carboxamide is sourced from PubChem (CID 3532877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).