N-(3,4-dichlorophenyl)-6-[(1-oxo-2,3-dihydroinden-4-yl)oxy]pyridine-3-carboxamide

C21H14Cl2N2O3 — CID 18673893

IUPACN-(3,4-dichlorophenyl)-6-[(1-oxo-2,3-dihydroinden-4-yl)oxy]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Oc2cccc3c2CCC3=O)nc1
InChIInChI=1S/C21H14Cl2N2O3/c22-16-7-5-13(10-17(16)23)25-21(27)12-4-9-20(24-11-12)28-19-3-1-2-14-15(19)6-8-18(14)26/h1-5,7,9-11H,6,8H2,(H,25,27)
InChIKeyHEBCBAKTESCDJM-UHFFFAOYSA-N
MW413.26 g/mol
LogP5.56
Rot. Bonds4

About N-(3,4-dichlorophenyl)-6-[(1-oxo-2,3-dihydroinden-4-yl)oxy]pyridine-3-carboxamide

N-(3,4-dichlorophenyl)-6-[(1-oxo-2,3-dihydroinden-4-yl)oxy]pyridine-3-carboxamide (PubChem CID 18673893) has the molecular formula C21H14Cl2N2O3 and a molecular weight of 413.26 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-6-[(1-oxo-2,3-dihydroinden-4-yl)oxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-6-[(1-oxo-2,3-dihydroinden-4-yl)oxy]pyridine-3-carboxamide
PubChem CID18673893
Molecular FormulaC21H14Cl2N2O3
Molecular Weight413.26 g/mol
Exact Mass412.04
IUPAC NameN-(3,4-dichlorophenyl)-6-[(1-oxo-2,3-dihydroinden-4-yl)oxy]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Oc2cccc3c2CCC3=O)nc1
InChIInChI=1S/C21H14Cl2N2O3/c22-16-7-5-13(10-17(16)23)25-21(27)12-4-9-20(24-11-12)28-19-3-1-2-14-15(19)6-8-18(14)26/h1-5,7,9-11H,6,8H2,(H,25,27)
InChIKeyHEBCBAKTESCDJM-UHFFFAOYSA-N
XLogP5.56
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.26
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)-3-[6-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]-3-pyridinyl]urea
CID 18673943
3,4-dichloro-N-[6-[[(1E)-1-methoxyimino-2,3-dihydroinden-4-yl]oxy]-3-pyridinyl]benzamide
CID 87952683
3,4-dichloro-N-[6-[(1-ethoxy-3H-inden-4-yl)oxy]-3-pyridinyl]benzamide
CID 18673945
N-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-3-methylbenzamide;hydrochloride
CID 44641711
N-[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]naphthalene-2-carboxamide
CID 18419514
5-N-(3,4-dichlorophenyl)pyridine-2,5-dicarboxamide
CID 47460215
N-[6-(2,4-dichlorophenoxy)-3-pyridinyl]-4-methylbenzamide
CID 40541033
N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-6-phenoxypyridine-3-carboxamide
CID 58006536
N-(3-chloro-4-cyanophenyl)-6-methoxypyridine-3-carboxamide
CID 134015998
N-(3,4-dichlorophenyl)-2-hydroxy-6-methoxybenzamide
CID 4130040
2-[[3-[[5-[(3,4-dichlorobenzoyl)amino]-2-pyridinyl]oxy]phenyl]methylamino]acetic acid
CID 69191827
N-(3,4-dichlorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250257

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-6-[(1-oxo-2,3-dihydroinden-4-yl)oxy]pyridine-3-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-6-[(1-oxo-2,3-dihydroinden-4-yl)oxy]pyridine-3-carboxamide (CID 18673893) is N-(3,4-dichlorophenyl)-6-[(1-oxo-2,3-dihydroinden-4-yl)oxy]pyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-6-[(1-oxo-2,3-dihydroinden-4-yl)oxy]pyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-6-[(1-oxo-2,3-dihydroinden-4-yl)oxy]pyridine-3-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Oc2cccc3c2CCC3=O)nc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-6-[(1-oxo-2,3-dihydroinden-4-yl)oxy]pyridine-3-carboxamide?
The InChIKey is HEBCBAKTESCDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N2O3/c22-16-7-5-13(10-17(16)23)25-21(27)12-4-9-20(24-11-12)28-19-3-1-2-14-15(19)6-8-18(14)26/h1-5,7,9-11H,6,8H2,(H,25,27).
What are the key properties of N-(3,4-dichlorophenyl)-6-[(1-oxo-2,3-dihydroinden-4-yl)oxy]pyridine-3-carboxamide?
N-(3,4-dichlorophenyl)-6-[(1-oxo-2,3-dihydroinden-4-yl)oxy]pyridine-3-carboxamide has a molecular weight of 413.26 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-6-[(1-oxo-2,3-dihydroinden-4-yl)oxy]pyridine-3-carboxamide is sourced from PubChem (CID 18673893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).