N-[2-chloro-5-[[2-chloro-4-(1-oxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide

C22H18Cl2N4O3S — CID 144621222

IUPACN-[2-chloro-5-[[2-chloro-4-(1-oxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(NC(=O)c2ccc(N3CCCS3=O)cc2Cl)ccc1Cl)c1cccnc1
InChIInChI=1S/C22H18Cl2N4O3S/c23-18-7-4-15(11-20(18)27-21(29)14-3-1-8-25-13-14)26-22(30)17-6-5-16(12-19(17)24)28-9-2-10-32(28)31/h1,3-8,11-13H,2,9-10H2,(H,26,30)(H,27,29)
InChIKeyJNTWMGPKKLDSPG-UHFFFAOYSA-N
MW489.38 g/mol
LogP4.77
Rot. Bonds5

About N-[2-chloro-5-[[2-chloro-4-(1-oxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide

N-[2-chloro-5-[[2-chloro-4-(1-oxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide (PubChem CID 144621222) has the molecular formula C22H18Cl2N4O3S and a molecular weight of 489.38 g/mol. Its IUPAC name is N-[2-chloro-5-[[2-chloro-4-(1-oxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-[[2-chloro-4-(1-oxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide
PubChem CID144621222
Molecular FormulaC22H18Cl2N4O3S
Molecular Weight489.38 g/mol
Exact Mass488.05
IUPAC NameN-[2-chloro-5-[[2-chloro-4-(1-oxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(NC(=O)c2ccc(N3CCCS3=O)cc2Cl)ccc1Cl)c1cccnc1
InChIInChI=1S/C22H18Cl2N4O3S/c23-18-7-4-15(11-20(18)27-21(29)14-3-1-8-25-13-14)26-22(30)17-6-5-16(12-19(17)24)28-9-2-10-32(28)31/h1,3-8,11-13H,2,9-10H2,(H,26,30)(H,27,29)
InChIKeyJNTWMGPKKLDSPG-UHFFFAOYSA-N
XLogP4.77
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.38
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-benzamido-4-chlorophenyl)-2-fluoro-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide
CID 144621473
2-chloro-N-(4-chloro-3-quinazolin-2-ylphenyl)-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide
CID 144621410
2-chloro-N-[4-chloro-3-[(3-chlorobenzoyl)amino]phenyl]-4-pyrrolidin-1-ylbenzamide
CID 148620198
N-[5-[(2-aminoacetyl)amino]-2-chlorophenyl]pyridine-3-carboxamide
CID 39184826
N-(3-benzamido-4-chlorophenyl)-2-chloro-4-(1,1-dioxothiazinan-2-yl)benzamide;N-(3-benzamido-4-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)-2-fluorobenzamide;N-[3-[(3-chlorobenzoyl)amino]-4-methylphenyl]-4-(1,1-dioxothiazinan-2-yl)-2-fluorobenzamide;N-[2-chloro-5-[[4-(1,1-dioxothiazinan-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide
CID 159030255
3-chlorobenzaldehyde;2-chloro-N-[4-methyl-3-(methylamino)phenyl]-4-(1-oxo-1,2-thiazolidin-2-yl)benzamide;ethane
CID 144621152
N-[3-[(2-chloro-4-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39188695
N-(4-chloro-3-fluorophenyl)pyridine-3-carboxamide
CID 47227911
N-(4-chloro-3-quinoxalin-2-ylphenyl)-4-(1-oxothiazinan-2-yl)benzamide
CID 144620837
N-[2-chloro-5-[(6-chloro-4-methylsulfonylcyclohexa-1,5-diene-1-carbonyl)amino]phenyl]pyridine-3-carboxamide
CID 143465762
N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1-oxothiazinan-2-yl)benzamide
CID 144621872
3-chloro-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 66483334

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[[2-chloro-4-(1-oxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-chloro-5-[[2-chloro-4-(1-oxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide (CID 144621222) is N-[2-chloro-5-[[2-chloro-4-(1-oxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-chloro-5-[[2-chloro-4-(1-oxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-chloro-5-[[2-chloro-4-(1-oxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide is O=C(Nc1cc(NC(=O)c2ccc(N3CCCS3=O)cc2Cl)ccc1Cl)c1cccnc1.
What is the InChIKey of N-[2-chloro-5-[[2-chloro-4-(1-oxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide?
The InChIKey is JNTWMGPKKLDSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N4O3S/c23-18-7-4-15(11-20(18)27-21(29)14-3-1-8-25-13-14)26-22(30)17-6-5-16(12-19(17)24)28-9-2-10-32(28)31/h1,3-8,11-13H,2,9-10H2,(H,26,30)(H,27,29).
What are the key properties of N-[2-chloro-5-[[2-chloro-4-(1-oxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide?
N-[2-chloro-5-[[2-chloro-4-(1-oxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide has a molecular weight of 489.38 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[[2-chloro-4-(1-oxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 144621222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).