N-[(2,3-dimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide

C18H17N3O3 — CID 2329554

IUPACN-[(2,3-dimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
SMILESCOc1cccc(C=NNC(=O)c2c[nH]c3ccccc23)c1OC
InChIInChI=1S/C18H17N3O3/c1-23-16-9-5-6-12(17(16)24-2)10-20-21-18(22)14-11-19-15-8-4-3-7-13(14)15/h3-11,19H,1-2H3,(H,21,22)
InChIKeyPBDVHEPHFKUXBP-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.95
Rot. Bonds5

About N-[(2,3-dimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide

N-[(2,3-dimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide (PubChem CID 2329554) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
PubChem CID2329554
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-[(2,3-dimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
SMILESCOc1cccc(C=NNC(=O)c2c[nH]c3ccccc23)c1OC
InChIInChI=1S/C18H17N3O3/c1-23-16-9-5-6-12(17(16)24-2)10-20-21-18(22)14-11-19-15-8-4-3-7-13(14)15/h3-11,19H,1-2H3,(H,21,22)
InChIKeyPBDVHEPHFKUXBP-UHFFFAOYSA-N
XLogP2.95
TPSA75.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.95
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)-(2,3,4-trimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 6894239
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5414551
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 136661289
N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-1H-indole-3-carboxamide
CID 42991298
N-[(2-iodophenyl)methylideneamino]-1H-indole-3-carboxamide
CID 2165485
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 135715615
methyl 3-[(Z)-(1H-indole-3-carbonylhydrazinylidene)methyl]indole-1-carboxylate
CID 11588540
N-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 2172304
4-bromo-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 8982588
N-[(2,3-dimethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 760406
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methoxybenzamide
CID 135458765
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126395056

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide (CID 2329554) is N-[(2,3-dimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide is COc1cccc(C=NNC(=O)c2c[nH]c3ccccc23)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide?
The InChIKey is PBDVHEPHFKUXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-23-16-9-5-6-12(17(16)24-2)10-20-21-18(22)14-11-19-15-8-4-3-7-13(14)15/h3-11,19H,1-2H3,(H,21,22).
What are the key properties of N-[(2,3-dimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide?
N-[(2,3-dimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide is sourced from PubChem (CID 2329554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).