(3Z)-1-benzyl-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolo[2,3-b]pyridin-2-one

C23H21N3O — CID 122182248

IUPAC(3Z)-1-benzyl-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolo[2,3-b]pyridin-2-one
SMILESCN(C)c1ccc(/C=C2\C(=O)N(Cc3ccccc3)c3ncccc32)cc1
InChIInChI=1S/C23H21N3O/c1-25(2)19-12-10-17(11-13-19)15-21-20-9-6-14-24-22(20)26(23(21)27)16-18-7-4-3-5-8-18/h3-15H,16H2,1-2H3/b21-15-
InChIKeySRFCYCGHFFRDLB-QNGOZBTKSA-N
MW355.44 g/mol
LogP4.24
Rot. Bonds4

About (3Z)-1-benzyl-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolo[2,3-b]pyridin-2-one

(3Z)-1-benzyl-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolo[2,3-b]pyridin-2-one (PubChem CID 122182248) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is (3Z)-1-benzyl-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name(3Z)-1-benzyl-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolo[2,3-b]pyridin-2-one
PubChem CID122182248
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC Name(3Z)-1-benzyl-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolo[2,3-b]pyridin-2-one
SMILESCN(C)c1ccc(/C=C2\C(=O)N(Cc3ccccc3)c3ncccc32)cc1
InChIInChI=1S/C23H21N3O/c1-25(2)19-12-10-17(11-13-19)15-21-20-9-6-14-24-22(20)26(23(21)27)16-18-7-4-3-5-8-18/h3-15H,16H2,1-2H3/b21-15-
InChIKeySRFCYCGHFFRDLB-QNGOZBTKSA-N
XLogP4.24
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-1-benzyl-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of (3Z)-1-benzyl-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolo[2,3-b]pyridin-2-one (CID 122182248) is (3Z)-1-benzyl-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for (3Z)-1-benzyl-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for (3Z)-1-benzyl-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolo[2,3-b]pyridin-2-one is CN(C)c1ccc(/C=C2\C(=O)N(Cc3ccccc3)c3ncccc32)cc1.
What is the InChIKey of (3Z)-1-benzyl-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolo[2,3-b]pyridin-2-one?
The InChIKey is SRFCYCGHFFRDLB-QNGOZBTKSA-N. The full InChI is InChI=1S/C23H21N3O/c1-25(2)19-12-10-17(11-13-19)15-21-20-9-6-14-24-22(20)26(23(21)27)16-18-7-4-3-5-8-18/h3-15H,16H2,1-2H3/b21-15-.
What are the key properties of (3Z)-1-benzyl-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolo[2,3-b]pyridin-2-one?
(3Z)-1-benzyl-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolo[2,3-b]pyridin-2-one has a molecular weight of 355.44 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-benzyl-3-[[4-(dimethylamino)phenyl]methylidene]pyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 122182248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).