5,6-dichloro-N-[3-[(5-fluoro-6-oxo-1H-pyridine-3-carbonyl)amino]phenyl]-1H-indole-2-carboxamide

C21H13Cl2FN4O3 — CID 166378280

IUPAC5,6-dichloro-N-[3-[(5-fluoro-6-oxo-1H-pyridine-3-carbonyl)amino]phenyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cc3cc(Cl)c(Cl)cc3[nH]2)c1)c1c[nH]c(=O)c(F)c1
InChIInChI=1S/C21H13Cl2FN4O3/c22-14-4-10-6-18(28-17(10)8-15(14)23)21(31)27-13-3-1-2-12(7-13)26-19(29)11-5-16(24)20(30)25-9-11/h1-9,28H,(H,25,30)(H,26,29)(H,27,31)
InChIKeyZVPDPIHBRIDVFP-UHFFFAOYSA-N
MW459.26 g/mol
LogP4.81
Rot. Bonds4

About 5,6-dichloro-N-[3-[(5-fluoro-6-oxo-1H-pyridine-3-carbonyl)amino]phenyl]-1H-indole-2-carboxamide

5,6-dichloro-N-[3-[(5-fluoro-6-oxo-1H-pyridine-3-carbonyl)amino]phenyl]-1H-indole-2-carboxamide (PubChem CID 166378280) has the molecular formula C21H13Cl2FN4O3 and a molecular weight of 459.26 g/mol. Its IUPAC name is 5,6-dichloro-N-[3-[(5-fluoro-6-oxo-1H-pyridine-3-carbonyl)amino]phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[3-[(5-fluoro-6-oxo-1H-pyridine-3-carbonyl)amino]phenyl]-1H-indole-2-carboxamide
PubChem CID166378280
Molecular FormulaC21H13Cl2FN4O3
Molecular Weight459.26 g/mol
Exact Mass458.03
IUPAC Name5,6-dichloro-N-[3-[(5-fluoro-6-oxo-1H-pyridine-3-carbonyl)amino]phenyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1cccc(NC(=O)c2cc3cc(Cl)c(Cl)cc3[nH]2)c1)c1c[nH]c(=O)c(F)c1
InChIInChI=1S/C21H13Cl2FN4O3/c22-14-4-10-6-18(28-17(10)8-15(14)23)21(31)27-13-3-1-2-12(7-13)26-19(29)11-5-16(24)20(30)25-9-11/h1-9,28H,(H,25,30)(H,26,29)(H,27,31)
InChIKeyZVPDPIHBRIDVFP-UHFFFAOYSA-N
XLogP4.81
TPSA106.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.26
LogP ≤ 54.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 5,6-dichloro-N-[3-[(5-fluoro-6-oxo-1H-pyridine-3-carbonyl)amino]phenyl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

5-chloro-N-(3,4-difluorophenyl)-1H-indole-2-carboxamide
CID 113207264
N-(3-chloro-4-fluorophenyl)-6-fluoro-1H-indole-2-carboxamide
CID 113207472
5-chloro-N-(3-cyanophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47059651
N-(3-chloro-4-fluorophenyl)-5,6-dimethoxy-1H-indole-2-carboxamide
CID 7679189
N-(3-chloro-4-fluorophenyl)-6-oxo-5-phenyl-1H-pyridine-3-carboxamide
CID 110683825
N-(3-acetamidophenyl)-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 31301489
N-(3-acetamidophenyl)-3-chloro-4-fluorobenzamide
CID 110764762
5,6-dihydroxy-N-phenyl-1H-indole-2-carboxamide
CID 164610325
6-bromo-N-(3-bromophenyl)-1H-indole-2-carboxamide
CID 175535404
N-(3-fluorophenyl)-6-methoxy-1H-indole-2-carboxamide
CID 110862680
N-(4-carbamoylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 46557885
5-amino-N-(2,6-difluorophenyl)-1H-indole-2-carboxamide
CID 63117859

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[3-[(5-fluoro-6-oxo-1H-pyridine-3-carbonyl)amino]phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 5,6-dichloro-N-[3-[(5-fluoro-6-oxo-1H-pyridine-3-carbonyl)amino]phenyl]-1H-indole-2-carboxamide (CID 166378280) is 5,6-dichloro-N-[3-[(5-fluoro-6-oxo-1H-pyridine-3-carbonyl)amino]phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[3-[(5-fluoro-6-oxo-1H-pyridine-3-carbonyl)amino]phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[3-[(5-fluoro-6-oxo-1H-pyridine-3-carbonyl)amino]phenyl]-1H-indole-2-carboxamide is O=C(Nc1cccc(NC(=O)c2cc3cc(Cl)c(Cl)cc3[nH]2)c1)c1c[nH]c(=O)c(F)c1.
What is the InChIKey of 5,6-dichloro-N-[3-[(5-fluoro-6-oxo-1H-pyridine-3-carbonyl)amino]phenyl]-1H-indole-2-carboxamide?
The InChIKey is ZVPDPIHBRIDVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2FN4O3/c22-14-4-10-6-18(28-17(10)8-15(14)23)21(31)27-13-3-1-2-12(7-13)26-19(29)11-5-16(24)20(30)25-9-11/h1-9,28H,(H,25,30)(H,26,29)(H,27,31).
What are the key properties of 5,6-dichloro-N-[3-[(5-fluoro-6-oxo-1H-pyridine-3-carbonyl)amino]phenyl]-1H-indole-2-carboxamide?
5,6-dichloro-N-[3-[(5-fluoro-6-oxo-1H-pyridine-3-carbonyl)amino]phenyl]-1H-indole-2-carboxamide has a molecular weight of 459.26 g/mol, XLogP of 4.81, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[3-[(5-fluoro-6-oxo-1H-pyridine-3-carbonyl)amino]phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 166378280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).