5-fluoro-2-(2-methoxyethoxy)-N-[2-oxo-5-(2,4,6-trichlorophenyl)-1,3-dihydro-1,4-benzodiazepin-3-yl]pyridine-3-carboxamide

C24H18Cl3FN4O4 — CID 50997013

IUPAC5-fluoro-2-(2-methoxyethoxy)-N-[2-oxo-5-(2,4,6-trichlorophenyl)-1,3-dihydro-1,4-benzodiazepin-3-yl]pyridine-3-carboxamide
SMILESCOCCOc1ncc(F)cc1C(=O)NC1N=C(c2c(Cl)cc(Cl)cc2Cl)c2ccccc2NC1=O
InChIInChI=1S/C24H18Cl3FN4O4/c1-35-6-7-36-24-15(10-13(28)11-29-24)22(33)32-21-23(34)30-18-5-3-2-4-14(18)20(31-21)19-16(26)8-12(25)9-17(19)27/h2-5,8-11,21H,6-7H2,1H3,(H,30,34)(H,32,33)
InChIKeyFVKXXBVMDJWFKT-UHFFFAOYSA-N
MW551.79 g/mol
LogP4.75
Rot. Bonds7

About 5-fluoro-2-(2-methoxyethoxy)-N-[2-oxo-5-(2,4,6-trichlorophenyl)-1,3-dihydro-1,4-benzodiazepin-3-yl]pyridine-3-carboxamide

5-fluoro-2-(2-methoxyethoxy)-N-[2-oxo-5-(2,4,6-trichlorophenyl)-1,3-dihydro-1,4-benzodiazepin-3-yl]pyridine-3-carboxamide (PubChem CID 50997013) has the molecular formula C24H18Cl3FN4O4 and a molecular weight of 551.79 g/mol. Its IUPAC name is 5-fluoro-2-(2-methoxyethoxy)-N-[2-oxo-5-(2,4,6-trichlorophenyl)-1,3-dihydro-1,4-benzodiazepin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-(2-methoxyethoxy)-N-[2-oxo-5-(2,4,6-trichlorophenyl)-1,3-dihydro-1,4-benzodiazepin-3-yl]pyridine-3-carboxamide
PubChem CID50997013
Molecular FormulaC24H18Cl3FN4O4
Molecular Weight551.79 g/mol
Exact Mass550.04
IUPAC Name5-fluoro-2-(2-methoxyethoxy)-N-[2-oxo-5-(2,4,6-trichlorophenyl)-1,3-dihydro-1,4-benzodiazepin-3-yl]pyridine-3-carboxamide
SMILESCOCCOc1ncc(F)cc1C(=O)NC1N=C(c2c(Cl)cc(Cl)cc2Cl)c2ccccc2NC1=O
InChIInChI=1S/C24H18Cl3FN4O4/c1-35-6-7-36-24-15(10-13(28)11-29-24)22(33)32-21-23(34)30-18-5-3-2-4-14(18)20(31-21)19-16(26)8-12(25)9-17(19)27/h2-5,8-11,21H,6-7H2,1H3,(H,30,34)(H,32,33)
InChIKeyFVKXXBVMDJWFKT-UHFFFAOYSA-N
XLogP4.75
TPSA101.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.79
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-fluoro-2-(2-methoxyethoxy)-N-[2-oxo-5-(2,4,6-trichlorophenyl)-1,3-dihydro-1,4-benzodiazepin-3-yl]pyridine-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

N-[2-(4-chlorophenyl)ethyl]-2-ethoxypyridine-3-carboxamide
CID 2481263
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-ethoxy-N-ethylpyridine-3-carboxamide
CID 4792396
N-[(2,4-dichlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 2727207
5-[[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethyl]amino]-2-methoxy-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 177652494
N-(2-(3-(4-chlorophenyl)-6-oxopyridazin-1(6H)-yl)ethyl)-2-ethoxynicotinamide
CID 18569759
N-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methoxy]pyridine-3-carboxamide
CID 22612280
5-fluoro-2-(2-methoxyethoxy)-N-[(3S)-2-oxo-5-(2,4,6-trichlorophenyl)-1,3-dihydro-1,4-benzodiazepin-3-yl]pyridine-3-carboxamide
CID 50923310
N-(5-(2,4-Dichloro-6-methoxyphenyl)-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-5-fluoro-2-(2-methoxyethoxy)nicotinamide
CID 50995041
N-(5-(2,4-Dichloro-6-methoxyphenyl)-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-2-(2-ethoxyethoxy)-5-fluoronicotinamide
CID 50995042
N-(5-(2,4-Dichloro-6-ethoxyphenyl)-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-5-fluoro-2-(2-methoxyethoxy)nicotinamide
CID 50995044
N-(5-(2,4-Dichloro-6-ethoxyphenyl)-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-2-(2-ethoxyethoxy)-5-fluoronicotinamide
CID 50995045
5-fluoro-2-(2-methoxyethoxy)-N-[(3R)-2-oxo-5-(2,4,6-trichlorophenyl)-1,3-dihydro-1,4-benzodiazepin-3-yl]pyridine-3-carboxamide
CID 50995229

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-methoxyethoxy)-N-[2-oxo-5-(2,4,6-trichlorophenyl)-1,3-dihydro-1,4-benzodiazepin-3-yl]pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-2-(2-methoxyethoxy)-N-[2-oxo-5-(2,4,6-trichlorophenyl)-1,3-dihydro-1,4-benzodiazepin-3-yl]pyridine-3-carboxamide (CID 50997013) is 5-fluoro-2-(2-methoxyethoxy)-N-[2-oxo-5-(2,4,6-trichlorophenyl)-1,3-dihydro-1,4-benzodiazepin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-2-(2-methoxyethoxy)-N-[2-oxo-5-(2,4,6-trichlorophenyl)-1,3-dihydro-1,4-benzodiazepin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-2-(2-methoxyethoxy)-N-[2-oxo-5-(2,4,6-trichlorophenyl)-1,3-dihydro-1,4-benzodiazepin-3-yl]pyridine-3-carboxamide is COCCOc1ncc(F)cc1C(=O)NC1N=C(c2c(Cl)cc(Cl)cc2Cl)c2ccccc2NC1=O.
What is the InChIKey of 5-fluoro-2-(2-methoxyethoxy)-N-[2-oxo-5-(2,4,6-trichlorophenyl)-1,3-dihydro-1,4-benzodiazepin-3-yl]pyridine-3-carboxamide?
The InChIKey is FVKXXBVMDJWFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl3FN4O4/c1-35-6-7-36-24-15(10-13(28)11-29-24)22(33)32-21-23(34)30-18-5-3-2-4-14(18)20(31-21)19-16(26)8-12(25)9-17(19)27/h2-5,8-11,21H,6-7H2,1H3,(H,30,34)(H,32,33).
What are the key properties of 5-fluoro-2-(2-methoxyethoxy)-N-[2-oxo-5-(2,4,6-trichlorophenyl)-1,3-dihydro-1,4-benzodiazepin-3-yl]pyridine-3-carboxamide?
5-fluoro-2-(2-methoxyethoxy)-N-[2-oxo-5-(2,4,6-trichlorophenyl)-1,3-dihydro-1,4-benzodiazepin-3-yl]pyridine-3-carboxamide has a molecular weight of 551.79 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-methoxyethoxy)-N-[2-oxo-5-(2,4,6-trichlorophenyl)-1,3-dihydro-1,4-benzodiazepin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 50997013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).