N-[3-chloro-4-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)phenyl]pyridine-2-carboxamide;N-[3-chloro-4-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)phenyl]pyridine-2-carboxamide

C39H36Cl2N8O6 — CID 162247668

IUPACN-[3-chloro-4-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)phenyl]pyridine-2-carboxamide;N-[3-chloro-4-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)NC3(CCC3)C2=O)c(Cl)c1)c1ccccn1.O=C(Nc1ccc(N2C(=O)NC3(CCCCCC3)C2=O)c(Cl)c1)c1ccccn1
InChIInChI=1S/C21H21ClN4O3.C18H15ClN4O3/c22-15-13-14(24-18(27)16-7-3-6-12-23-16)8-9-17(15)26-19(28)21(25-20(26)29)10-4-1-2-5-11-21;19-12-10-11(21-15(24)13-4-1-2-9-20-13)5-6-14(12)23-16(25)18(7-3-8-18)22-17(23)26/h3,6-9,12-13H,1-2,4-5,10-11H2,(H,24,27)(H,25,29);1-2,4-6,9-10H,3,7-8H2,(H,21,24)(H,22,26)
InChIKeyZXODGXOHTXOSHX-UHFFFAOYSA-N
MW783.67 g/mol
LogP7.10
Rot. Bonds6

About N-[3-chloro-4-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)phenyl]pyridine-2-carboxamide;N-[3-chloro-4-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)phenyl]pyridine-2-carboxamide

N-[3-chloro-4-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)phenyl]pyridine-2-carboxamide;N-[3-chloro-4-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)phenyl]pyridine-2-carboxamide (PubChem CID 162247668) has the molecular formula C39H36Cl2N8O6 and a molecular weight of 783.67 g/mol. Its IUPAC name is N-[3-chloro-4-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)phenyl]pyridine-2-carboxamide;N-[3-chloro-4-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)phenyl]pyridine-2-carboxamide;N-[3-chloro-4-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)phenyl]pyridine-2-carboxamide
PubChem CID162247668
Molecular FormulaC39H36Cl2N8O6
Molecular Weight783.67 g/mol
Exact Mass782.21
IUPAC NameN-[3-chloro-4-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)phenyl]pyridine-2-carboxamide;N-[3-chloro-4-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2C(=O)NC3(CCC3)C2=O)c(Cl)c1)c1ccccn1.O=C(Nc1ccc(N2C(=O)NC3(CCCCCC3)C2=O)c(Cl)c1)c1ccccn1
InChIInChI=1S/C21H21ClN4O3.C18H15ClN4O3/c22-15-13-14(24-18(27)16-7-3-6-12-23-16)8-9-17(15)26-19(28)21(25-20(26)29)10-4-1-2-5-11-21;19-12-10-11(21-15(24)13-4-1-2-9-20-13)5-6-14(12)23-16(25)18(7-3-8-18)22-17(23)26/h3,6-9,12-13H,1-2,4-5,10-11H2,(H,24,27)(H,25,29);1-2,4-6,9-10H,3,7-8H2,(H,21,24)(H,22,26)
InChIKeyZXODGXOHTXOSHX-UHFFFAOYSA-N
XLogP7.10
TPSA182.80 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.67
LogP ≤ 57.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-[3-chloro-4-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)phenyl]pyridine-2-carboxamide;N-[3-chloro-4-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)phenyl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[3-chloro-4-(2,10-dioxo-1,3-diazecan-1-yl)phenyl]pyridine-2-carboxamide
CID 123639500
N-[3-chloro-4-(4-cyclohexyl-2,5-dioxoimidazolidin-1-yl)phenyl]pyridine-2-carboxamide
CID 67060315
N-[3-chloro-4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]pyridine-2-carboxamide
CID 53233277
N-[3-chloro-4-(2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide
CID 45110765
N-[3-chloro-4-(2,5-dioxo-3-phenylpyrrolidin-1-yl)phenyl]pyridine-2-carboxamide;hydrochloride
CID 56649211
N-[3-chloro-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]pyridine-2-carboxamide
CID 45110764
N'-[3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoyl]pyridine-2-carbohydrazide
CID 29259834
N-[4-(9a-methyl-4-sulfanylidene-6,7,8,9-tetrahydro-1H-pyrido[1,2-d][1,2,4]oxadiazin-3-yl)-3-chlorophenyl]pyridine-2-carboxamide
CID 88951889
N-(3-chloro-4-piperidin-1-ylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55885276
N-[4-(3-benzyl-3-methyl-2,5-dioxo-4-propylpyrrolidin-1-yl)-3-chlorophenyl]pyridine-2-carboxamide
CID 123642268
N-[4-(8a-methyl-8-oxo-3-sulfanylidene-1,5,6,7-tetrahydroimidazo[1,5-a]pyridin-2-yl)-3-chlorophenyl]pyridine-2-carboxamide
CID 123454052
N-(3,5-dichloro-4-hydroxyphenyl)pyridine-2-carboxamide
CID 82884387

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)phenyl]pyridine-2-carboxamide;N-[3-chloro-4-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-chloro-4-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)phenyl]pyridine-2-carboxamide;N-[3-chloro-4-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)phenyl]pyridine-2-carboxamide (CID 162247668) is N-[3-chloro-4-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)phenyl]pyridine-2-carboxamide;N-[3-chloro-4-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)phenyl]pyridine-2-carboxamide;N-[3-chloro-4-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)phenyl]pyridine-2-carboxamide;N-[3-chloro-4-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(N2C(=O)NC3(CCC3)C2=O)c(Cl)c1)c1ccccn1.O=C(Nc1ccc(N2C(=O)NC3(CCCCCC3)C2=O)c(Cl)c1)c1ccccn1.
What is the InChIKey of N-[3-chloro-4-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)phenyl]pyridine-2-carboxamide;N-[3-chloro-4-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is ZXODGXOHTXOSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O3.C18H15ClN4O3/c22-15-13-14(24-18(27)16-7-3-6-12-23-16)8-9-17(15)26-19(28)21(25-20(26)29)10-4-1-2-5-11-21;19-12-10-11(21-15(24)13-4-1-2-9-20-13)5-6-14(12)23-16(25)18(7-3-8-18)22-17(23)26/h3,6-9,12-13H,1-2,4-5,10-11H2,(H,24,27)(H,25,29);1-2,4-6,9-10H,3,7-8H2,(H,21,24)(H,22,26).
What are the key properties of N-[3-chloro-4-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)phenyl]pyridine-2-carboxamide;N-[3-chloro-4-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)phenyl]pyridine-2-carboxamide?
N-[3-chloro-4-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)phenyl]pyridine-2-carboxamide;N-[3-chloro-4-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 783.67 g/mol, XLogP of 7.10, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(6,8-dioxo-5,7-diazaspiro[3.4]octan-7-yl)phenyl]pyridine-2-carboxamide;N-[3-chloro-4-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 162247668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).