N-(7-chloro-1H-indazol-3-yl)-1-[2-(2-chlorophenoxy)ethyl]-6-oxopyridine-3-carboxamide

C21H16Cl2N4O3 — CID 146123342

IUPACN-(7-chloro-1H-indazol-3-yl)-1-[2-(2-chlorophenoxy)ethyl]-6-oxopyridine-3-carboxamide
SMILESO=C(Nc1n[nH]c2c(Cl)cccc12)c1ccc(=O)n(CCOc2ccccc2Cl)c1
InChIInChI=1S/C21H16Cl2N4O3/c22-15-5-1-2-7-17(15)30-11-10-27-12-13(8-9-18(27)28)21(29)24-20-14-4-3-6-16(23)19(14)25-26-20/h1-9,12H,10-11H2,(H2,24,25,26,29)
InChIKeyADSFBDWUXMEXBY-UHFFFAOYSA-N
MW443.29 g/mol
LogP4.36
Rot. Bonds6

About N-(7-chloro-1H-indazol-3-yl)-1-[2-(2-chlorophenoxy)ethyl]-6-oxopyridine-3-carboxamide

N-(7-chloro-1H-indazol-3-yl)-1-[2-(2-chlorophenoxy)ethyl]-6-oxopyridine-3-carboxamide (PubChem CID 146123342) has the molecular formula C21H16Cl2N4O3 and a molecular weight of 443.29 g/mol. Its IUPAC name is N-(7-chloro-1H-indazol-3-yl)-1-[2-(2-chlorophenoxy)ethyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(7-chloro-1H-indazol-3-yl)-1-[2-(2-chlorophenoxy)ethyl]-6-oxopyridine-3-carboxamide
PubChem CID146123342
Molecular FormulaC21H16Cl2N4O3
Molecular Weight443.29 g/mol
Exact Mass442.06
IUPAC NameN-(7-chloro-1H-indazol-3-yl)-1-[2-(2-chlorophenoxy)ethyl]-6-oxopyridine-3-carboxamide
SMILESO=C(Nc1n[nH]c2c(Cl)cccc12)c1ccc(=O)n(CCOc2ccccc2Cl)c1
InChIInChI=1S/C21H16Cl2N4O3/c22-15-5-1-2-7-17(15)30-11-10-27-12-13(8-9-18(27)28)21(29)24-20-14-4-3-6-16(23)19(14)25-26-20/h1-9,12H,10-11H2,(H2,24,25,26,29)
InChIKeyADSFBDWUXMEXBY-UHFFFAOYSA-N
XLogP4.36
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.29
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-chlorophenoxy)ethyl]-N-[3-(methylamino)-3-oxopropyl]-6-oxopyridine-3-carboxamide
CID 146154164
1-[2-(2-chlorophenoxy)ethyl]-5-[3-(2H-tetrazol-5-yl)pyrrolidine-1-carbonyl]pyridin-2-one
CID 139016213
3-[1-[2-(2-chlorophenoxy)ethyl]indole-3-carbonyl]-N-methylbenzamide
CID 146154131
1-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)-6-oxopyridine-3-carboxamide
CID 8671416
N-[2-(2-chlorophenoxy)ethyl]-4-fluorobenzamide
CID 99711043
3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide
CID 24589425
N-[2-(2,3-dichlorophenyl)ethyl]-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide
CID 47062519
3,4-dichloro-N-[2-(2-chlorophenoxy)ethyl]benzamide
CID 113099351
N-(7-chloro-1H-indazol-3-yl)-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide
CID 97244097
4-chloro-N-(1H-indazol-3-yl)benzamide
CID 12913046
N-[3,3-bis(4-fluorophenyl)propyl]-6-oxo-1-(2-phenoxyethyl)pyridine-3-carboxamide
CID 16679482
1-[(2-chlorophenyl)methyl]-N-(3-iodophenyl)-6-oxopyridine-3-carboxamide
CID 24559544

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-1H-indazol-3-yl)-1-[2-(2-chlorophenoxy)ethyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of N-(7-chloro-1H-indazol-3-yl)-1-[2-(2-chlorophenoxy)ethyl]-6-oxopyridine-3-carboxamide (CID 146123342) is N-(7-chloro-1H-indazol-3-yl)-1-[2-(2-chlorophenoxy)ethyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(7-chloro-1H-indazol-3-yl)-1-[2-(2-chlorophenoxy)ethyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-(7-chloro-1H-indazol-3-yl)-1-[2-(2-chlorophenoxy)ethyl]-6-oxopyridine-3-carboxamide is O=C(Nc1n[nH]c2c(Cl)cccc12)c1ccc(=O)n(CCOc2ccccc2Cl)c1.
What is the InChIKey of N-(7-chloro-1H-indazol-3-yl)-1-[2-(2-chlorophenoxy)ethyl]-6-oxopyridine-3-carboxamide?
The InChIKey is ADSFBDWUXMEXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N4O3/c22-15-5-1-2-7-17(15)30-11-10-27-12-13(8-9-18(27)28)21(29)24-20-14-4-3-6-16(23)19(14)25-26-20/h1-9,12H,10-11H2,(H2,24,25,26,29).
What are the key properties of N-(7-chloro-1H-indazol-3-yl)-1-[2-(2-chlorophenoxy)ethyl]-6-oxopyridine-3-carboxamide?
N-(7-chloro-1H-indazol-3-yl)-1-[2-(2-chlorophenoxy)ethyl]-6-oxopyridine-3-carboxamide has a molecular weight of 443.29 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-1H-indazol-3-yl)-1-[2-(2-chlorophenoxy)ethyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 146123342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).