1-[(4-chlorophenyl)methyl]-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-oxopyridine-3-carboxamide

C25H23ClN4O2 — CID 110524186

IUPAC1-[(4-chlorophenyl)methyl]-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-oxopyridine-3-carboxamide
SMILESCCn1c(C)c(/C=N\NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)c2ccccc21
InChIInChI=1S/C25H23ClN4O2/c1-3-30-17(2)22(20-7-4-5-9-23(20)30)15-27-28-24(31)21-8-6-14-29(25(21)32)16-18-10-12-19(26)13-11-18/h4-15H,3,16H2,1-2H3,(H,28,31)/b27-15-
InChIKeyBGJTVMWWABVNNM-DICXZTSXSA-N
MW446.94 g/mol
LogP4.60
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-oxopyridine-3-carboxamide

1-[(4-chlorophenyl)methyl]-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-oxopyridine-3-carboxamide (PubChem CID 110524186) has the molecular formula C25H23ClN4O2 and a molecular weight of 446.94 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-oxopyridine-3-carboxamide
PubChem CID110524186
Molecular FormulaC25H23ClN4O2
Molecular Weight446.94 g/mol
Exact Mass446.15
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-oxopyridine-3-carboxamide
SMILESCCn1c(C)c(/C=N\NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)c2ccccc21
InChIInChI=1S/C25H23ClN4O2/c1-3-30-17(2)22(20-7-4-5-9-23(20)30)15-27-28-24(31)21-8-6-14-29(25(21)32)16-18-10-12-19(26)13-11-18/h4-15H,3,16H2,1-2H3,(H,28,31)/b27-15-
InChIKeyBGJTVMWWABVNNM-DICXZTSXSA-N
XLogP4.60
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.94
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(4-chlorophenyl)methyl]-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-oxopyridine-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

2-amino-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide
CID 110512126
2,4-dichloro-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide
CID 126375327
2-bromo-N-[(E)-(1-ethyl-2-methylindol-3-yl)methylideneamino]benzamide
CID 17245319
2-chloro-N-[[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]pyridine-3-carboxamide
CID 3637449
1-[(4-chlorophenyl)methyl]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 136874511
1-[(4-chlorophenyl)methyl]-N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524114
N-[(Z)-(1-methylindol-3-yl)methylideneamino]-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524057
1-[(4-chlorophenyl)methyl]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110524175
4-chloro-N-[(Z)-[1-[(3,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]benzamide
CID 126376160
N-[(E)-[1-[(4-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126044502
2-bromo-N-[(E)-[1-[(4-iodophenyl)methyl]-2-methylindol-3-yl]methylideneamino]benzamide
CID 17245541
1-benzyl-N-[(Z)-(4-ethylphenyl)methylideneamino]-2-oxopyridine-3-carboxamide
CID 110523905

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-oxopyridine-3-carboxamide (CID 110524186) is 1-[(4-chlorophenyl)methyl]-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-oxopyridine-3-carboxamide is CCn1c(C)c(/C=N\NC(=O)c2cccn(Cc3ccc(Cl)cc3)c2=O)c2ccccc21.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-oxopyridine-3-carboxamide?
The InChIKey is BGJTVMWWABVNNM-DICXZTSXSA-N. The full InChI is InChI=1S/C25H23ClN4O2/c1-3-30-17(2)22(20-7-4-5-9-23(20)30)15-27-28-24(31)21-8-6-14-29(25(21)32)16-18-10-12-19(26)13-11-18/h4-15H,3,16H2,1-2H3,(H,28,31)/b27-15-.
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-oxopyridine-3-carboxamide?
1-[(4-chlorophenyl)methyl]-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-oxopyridine-3-carboxamide has a molecular weight of 446.94 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 110524186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).