N-[4-[(5-chloro-2-pyridinyl)amino]-1-(1,1-dihydroxy-1,4-thiazinan-4-yl)-1,4-dioxobutan-2-yl]-4-(2-oxo-1-pyridinyl)benzamide

C25H26ClN5O6S — CID 69440218

IUPACN-[4-[(5-chloro-2-pyridinyl)amino]-1-(1,1-dihydroxy-1,4-thiazinan-4-yl)-1,4-dioxobutan-2-yl]-4-(2-oxo-1-pyridinyl)benzamide
SMILESO=C(CC(NC(=O)c1ccc(-n2ccccc2=O)cc1)C(=O)N1CCS(O)(O)CC1)Nc1ccc(Cl)cn1
InChIInChI=1S/C25H26ClN5O6S/c26-18-6-9-21(27-16-18)29-22(32)15-20(25(35)30-11-13-38(36,37)14-12-30)28-24(34)17-4-7-19(8-5-17)31-10-2-1-3-23(31)33/h1-10,16,20,36-37H,11-15H2,(H,28,34)(H,27,29,32)
InChIKeyNFILQRKNMWWIEY-UHFFFAOYSA-N
MW560.03 g/mol
LogP2.61
Rot. Bonds7

About N-[4-[(5-chloro-2-pyridinyl)amino]-1-(1,1-dihydroxy-1,4-thiazinan-4-yl)-1,4-dioxobutan-2-yl]-4-(2-oxo-1-pyridinyl)benzamide

N-[4-[(5-chloro-2-pyridinyl)amino]-1-(1,1-dihydroxy-1,4-thiazinan-4-yl)-1,4-dioxobutan-2-yl]-4-(2-oxo-1-pyridinyl)benzamide (PubChem CID 69440218) has the molecular formula C25H26ClN5O6S and a molecular weight of 560.03 g/mol. Its IUPAC name is N-[4-[(5-chloro-2-pyridinyl)amino]-1-(1,1-dihydroxy-1,4-thiazinan-4-yl)-1,4-dioxobutan-2-yl]-4-(2-oxo-1-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[4-[(5-chloro-2-pyridinyl)amino]-1-(1,1-dihydroxy-1,4-thiazinan-4-yl)-1,4-dioxobutan-2-yl]-4-(2-oxo-1-pyridinyl)benzamide
PubChem CID69440218
Molecular FormulaC25H26ClN5O6S
Molecular Weight560.03 g/mol
Exact Mass559.13
IUPAC NameN-[4-[(5-chloro-2-pyridinyl)amino]-1-(1,1-dihydroxy-1,4-thiazinan-4-yl)-1,4-dioxobutan-2-yl]-4-(2-oxo-1-pyridinyl)benzamide
SMILESO=C(CC(NC(=O)c1ccc(-n2ccccc2=O)cc1)C(=O)N1CCS(O)(O)CC1)Nc1ccc(Cl)cn1
InChIInChI=1S/C25H26ClN5O6S/c26-18-6-9-21(27-16-18)29-22(32)15-20(25(35)30-11-13-38(36,37)14-12-30)28-24(34)17-4-7-19(8-5-17)31-10-2-1-3-23(31)33/h1-10,16,20,36-37H,11-15H2,(H,28,34)(H,27,29,32)
InChIKeyNFILQRKNMWWIEY-UHFFFAOYSA-N
XLogP2.61
TPSA153.86 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.03
LogP ≤ 52.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[4-[(5-chloro-2-pyridinyl)amino]-1-(1,1-dihydroxy-1,4-thiazinan-4-yl)-1,4-dioxobutan-2-yl]-4-(2-oxo-1-pyridinyl)benzamide with MolForge

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Related Compounds

N'-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]butanediamide
CID 69437743
N'-(5-chloro-2-pyridinyl)-N-[(1R,2S)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]oxamide
CID 11363623
N-[4-(4-chloroanilino)-1-[2-(1,1-dihydroxy-1,4-thiazinan-4-yl)ethyl-methylamino]-4-oxobutan-2-yl]-4-(2-oxo-1-pyridinyl)benzamide
CID 69439420
1-[2-[(4-chlorobenzoyl)amino]-4-methylpentanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 60547171
N-[4-[(5-bromo-2-pyridinyl)amino]-1-(4-methylpiperazin-1-yl)-1,4-dioxobutan-2-yl]-4-(2-sulfamoylphenyl)benzamide
CID 10122004
N-(5-chloro-2-pyridinyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 51250658
N-[4-[(5-chloro-2-pyridinyl)amino]-1-morpholin-4-yl-4-oxobutan-2-yl]-4-(2-oxopiperidin-1-yl)benzamide
CID 10255405
3-[(5-chlorothiophene-2-carbonyl)amino]-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propanoic acid
CID 10003667
N-(5-chloro-2-pyridinyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 111332524
N-(5-chloro-2-pyridinyl)-3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]pyridine-2-carboxamide;N-(5-chloro-2-pyridinyl)-4-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]pyridine-3-carboxamide;N-(5-chloro-2-pyridinyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]pyridine-3-carboxamide
CID 158322028
(3R)-N-(5-chloro-2-pyridinyl)-3-phenylbutanamide
CID 7277749
1-(4-chlorophenyl)pyridin-2-one
CID 68957992

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-chloro-2-pyridinyl)amino]-1-(1,1-dihydroxy-1,4-thiazinan-4-yl)-1,4-dioxobutan-2-yl]-4-(2-oxo-1-pyridinyl)benzamide?
The IUPAC name of N-[4-[(5-chloro-2-pyridinyl)amino]-1-(1,1-dihydroxy-1,4-thiazinan-4-yl)-1,4-dioxobutan-2-yl]-4-(2-oxo-1-pyridinyl)benzamide (CID 69440218) is N-[4-[(5-chloro-2-pyridinyl)amino]-1-(1,1-dihydroxy-1,4-thiazinan-4-yl)-1,4-dioxobutan-2-yl]-4-(2-oxo-1-pyridinyl)benzamide.
What is the SMILES notation for N-[4-[(5-chloro-2-pyridinyl)amino]-1-(1,1-dihydroxy-1,4-thiazinan-4-yl)-1,4-dioxobutan-2-yl]-4-(2-oxo-1-pyridinyl)benzamide?
The canonical SMILES for N-[4-[(5-chloro-2-pyridinyl)amino]-1-(1,1-dihydroxy-1,4-thiazinan-4-yl)-1,4-dioxobutan-2-yl]-4-(2-oxo-1-pyridinyl)benzamide is O=C(CC(NC(=O)c1ccc(-n2ccccc2=O)cc1)C(=O)N1CCS(O)(O)CC1)Nc1ccc(Cl)cn1.
What is the InChIKey of N-[4-[(5-chloro-2-pyridinyl)amino]-1-(1,1-dihydroxy-1,4-thiazinan-4-yl)-1,4-dioxobutan-2-yl]-4-(2-oxo-1-pyridinyl)benzamide?
The InChIKey is NFILQRKNMWWIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O6S/c26-18-6-9-21(27-16-18)29-22(32)15-20(25(35)30-11-13-38(36,37)14-12-30)28-24(34)17-4-7-19(8-5-17)31-10-2-1-3-23(31)33/h1-10,16,20,36-37H,11-15H2,(H,28,34)(H,27,29,32).
What are the key properties of N-[4-[(5-chloro-2-pyridinyl)amino]-1-(1,1-dihydroxy-1,4-thiazinan-4-yl)-1,4-dioxobutan-2-yl]-4-(2-oxo-1-pyridinyl)benzamide?
N-[4-[(5-chloro-2-pyridinyl)amino]-1-(1,1-dihydroxy-1,4-thiazinan-4-yl)-1,4-dioxobutan-2-yl]-4-(2-oxo-1-pyridinyl)benzamide has a molecular weight of 560.03 g/mol, XLogP of 2.61, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-chloro-2-pyridinyl)amino]-1-(1,1-dihydroxy-1,4-thiazinan-4-yl)-1,4-dioxobutan-2-yl]-4-(2-oxo-1-pyridinyl)benzamide is sourced from PubChem (CID 69440218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).