(3Z)-3-[[2-[3-[(dimethylamino)methyl]anilino]phenyl]methylidene]-2-oxo-1H-indole-6-carboxamide

C25H24N4O2 — CID 174203389

IUPAC(3Z)-3-[[2-[3-[(dimethylamino)methyl]anilino]phenyl]methylidene]-2-oxo-1H-indole-6-carboxamide
SMILESCN(C)Cc1cccc(Nc2ccccc2/C=C2\C(=O)Nc3cc(C(N)=O)ccc32)c1
InChIInChI=1S/C25H24N4O2/c1-29(2)15-16-6-5-8-19(12-16)27-22-9-4-3-7-17(22)13-21-20-11-10-18(24(26)30)14-23(20)28-25(21)31/h3-14,27H,15H2,1-2H3,(H2,26,30)(H,28,31)/b21-13-
InChIKeyFCUSXBVUQKGOQZ-BKUYFWCQSA-N
MW412.49 g/mol
LogP4.08
Rot. Bonds6

About (3Z)-3-[[2-[3-[(dimethylamino)methyl]anilino]phenyl]methylidene]-2-oxo-1H-indole-6-carboxamide

(3Z)-3-[[2-[3-[(dimethylamino)methyl]anilino]phenyl]methylidene]-2-oxo-1H-indole-6-carboxamide (PubChem CID 174203389) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is (3Z)-3-[[2-[3-[(dimethylamino)methyl]anilino]phenyl]methylidene]-2-oxo-1H-indole-6-carboxamide.

Molecular Properties

Compound Name(3Z)-3-[[2-[3-[(dimethylamino)methyl]anilino]phenyl]methylidene]-2-oxo-1H-indole-6-carboxamide
PubChem CID174203389
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name(3Z)-3-[[2-[3-[(dimethylamino)methyl]anilino]phenyl]methylidene]-2-oxo-1H-indole-6-carboxamide
SMILESCN(C)Cc1cccc(Nc2ccccc2/C=C2\C(=O)Nc3cc(C(N)=O)ccc32)c1
InChIInChI=1S/C25H24N4O2/c1-29(2)15-16-6-5-8-19(12-16)27-22-9-4-3-7-17(22)13-21-20-11-10-18(24(26)30)14-23(20)28-25(21)31/h3-14,27H,15H2,1-2H3,(H2,26,30)(H,28,31)/b21-13-
InChIKeyFCUSXBVUQKGOQZ-BKUYFWCQSA-N
XLogP4.08
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[2-[3-[(dimethylamino)methyl]anilino]phenyl]methylidene]-2-oxo-1H-indole-6-carboxamide?
The IUPAC name of (3Z)-3-[[2-[3-[(dimethylamino)methyl]anilino]phenyl]methylidene]-2-oxo-1H-indole-6-carboxamide (CID 174203389) is (3Z)-3-[[2-[3-[(dimethylamino)methyl]anilino]phenyl]methylidene]-2-oxo-1H-indole-6-carboxamide.
What is the SMILES notation for (3Z)-3-[[2-[3-[(dimethylamino)methyl]anilino]phenyl]methylidene]-2-oxo-1H-indole-6-carboxamide?
The canonical SMILES for (3Z)-3-[[2-[3-[(dimethylamino)methyl]anilino]phenyl]methylidene]-2-oxo-1H-indole-6-carboxamide is CN(C)Cc1cccc(Nc2ccccc2/C=C2\C(=O)Nc3cc(C(N)=O)ccc32)c1.
What is the InChIKey of (3Z)-3-[[2-[3-[(dimethylamino)methyl]anilino]phenyl]methylidene]-2-oxo-1H-indole-6-carboxamide?
The InChIKey is FCUSXBVUQKGOQZ-BKUYFWCQSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-29(2)15-16-6-5-8-19(12-16)27-22-9-4-3-7-17(22)13-21-20-11-10-18(24(26)30)14-23(20)28-25(21)31/h3-14,27H,15H2,1-2H3,(H2,26,30)(H,28,31)/b21-13-.
What are the key properties of (3Z)-3-[[2-[3-[(dimethylamino)methyl]anilino]phenyl]methylidene]-2-oxo-1H-indole-6-carboxamide?
(3Z)-3-[[2-[3-[(dimethylamino)methyl]anilino]phenyl]methylidene]-2-oxo-1H-indole-6-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 4.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[2-[3-[(dimethylamino)methyl]anilino]phenyl]methylidene]-2-oxo-1H-indole-6-carboxamide is sourced from PubChem (CID 174203389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).