N-[2-chloro-5-[(6-chloro-4-methylsulfonylcyclohexa-1,5-diene-1-carbonyl)amino]phenyl]pyridine-3-carboxamide

C20H17Cl2N3O4S — CID 143465762

IUPACN-[2-chloro-5-[(6-chloro-4-methylsulfonylcyclohexa-1,5-diene-1-carbonyl)amino]phenyl]pyridine-3-carboxamide
SMILESCS(=O)(=O)C1C=C(Cl)C(C(=O)Nc2ccc(Cl)c(NC(=O)c3cccnc3)c2)=CC1
InChIInChI=1S/C20H17Cl2N3O4S/c1-30(28,29)14-5-6-15(17(22)10-14)20(27)24-13-4-7-16(21)18(9-13)25-19(26)12-3-2-8-23-11-12/h2-4,6-11,14H,5H2,1H3,(H,24,27)(H,25,26)
InChIKeyVTQJEEMAAKHFCC-UHFFFAOYSA-N
MW466.35 g/mol
LogP3.79
Rot. Bonds5

About N-[2-chloro-5-[(6-chloro-4-methylsulfonylcyclohexa-1,5-diene-1-carbonyl)amino]phenyl]pyridine-3-carboxamide

N-[2-chloro-5-[(6-chloro-4-methylsulfonylcyclohexa-1,5-diene-1-carbonyl)amino]phenyl]pyridine-3-carboxamide (PubChem CID 143465762) has the molecular formula C20H17Cl2N3O4S and a molecular weight of 466.35 g/mol. Its IUPAC name is N-[2-chloro-5-[(6-chloro-4-methylsulfonylcyclohexa-1,5-diene-1-carbonyl)amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[(6-chloro-4-methylsulfonylcyclohexa-1,5-diene-1-carbonyl)amino]phenyl]pyridine-3-carboxamide
PubChem CID143465762
Molecular FormulaC20H17Cl2N3O4S
Molecular Weight466.35 g/mol
Exact Mass465.03
IUPAC NameN-[2-chloro-5-[(6-chloro-4-methylsulfonylcyclohexa-1,5-diene-1-carbonyl)amino]phenyl]pyridine-3-carboxamide
SMILESCS(=O)(=O)C1C=C(Cl)C(C(=O)Nc2ccc(Cl)c(NC(=O)c3cccnc3)c2)=CC1
InChIInChI=1S/C20H17Cl2N3O4S/c1-30(28,29)14-5-6-15(17(22)10-14)20(27)24-13-4-7-16(21)18(9-13)25-19(26)12-3-2-8-23-11-12/h2-4,6-11,14H,5H2,1H3,(H,24,27)(H,25,26)
InChIKeyVTQJEEMAAKHFCC-UHFFFAOYSA-N
XLogP3.79
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.35
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(2-aminoacetyl)amino]-2-chlorophenyl]pyridine-3-carboxamide
CID 39184826
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CID 29373777
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CID 55630897
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N-[2-chloro-5-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]pyridine-3-carboxamide
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N-(2,5-dichloro-4-methoxyphenyl)pyridine-3-carboxamide;hydrochloride
CID 110777674
N-(2-chloro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 64787918

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[(6-chloro-4-methylsulfonylcyclohexa-1,5-diene-1-carbonyl)amino]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-chloro-5-[(6-chloro-4-methylsulfonylcyclohexa-1,5-diene-1-carbonyl)amino]phenyl]pyridine-3-carboxamide (CID 143465762) is N-[2-chloro-5-[(6-chloro-4-methylsulfonylcyclohexa-1,5-diene-1-carbonyl)amino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[(6-chloro-4-methylsulfonylcyclohexa-1,5-diene-1-carbonyl)amino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-chloro-5-[(6-chloro-4-methylsulfonylcyclohexa-1,5-diene-1-carbonyl)amino]phenyl]pyridine-3-carboxamide is CS(=O)(=O)C1C=C(Cl)C(C(=O)Nc2ccc(Cl)c(NC(=O)c3cccnc3)c2)=CC1.
What is the InChIKey of N-[2-chloro-5-[(6-chloro-4-methylsulfonylcyclohexa-1,5-diene-1-carbonyl)amino]phenyl]pyridine-3-carboxamide?
The InChIKey is VTQJEEMAAKHFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O4S/c1-30(28,29)14-5-6-15(17(22)10-14)20(27)24-13-4-7-16(21)18(9-13)25-19(26)12-3-2-8-23-11-12/h2-4,6-11,14H,5H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[2-chloro-5-[(6-chloro-4-methylsulfonylcyclohexa-1,5-diene-1-carbonyl)amino]phenyl]pyridine-3-carboxamide?
N-[2-chloro-5-[(6-chloro-4-methylsulfonylcyclohexa-1,5-diene-1-carbonyl)amino]phenyl]pyridine-3-carboxamide has a molecular weight of 466.35 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[(6-chloro-4-methylsulfonylcyclohexa-1,5-diene-1-carbonyl)amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 143465762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).