N'-(5-chloro-2-pyridinyl)-N-[4-(dimethylcarbamoyl)-2-(methanesulfonamido)cyclohexyl]oxamide

C17H24ClN5O5S — CID 175687289

IUPACN'-(5-chloro-2-pyridinyl)-N-[4-(dimethylcarbamoyl)-2-(methanesulfonamido)cyclohexyl]oxamide
SMILESCN(C)C(=O)C1CCC(NC(=O)C(=O)Nc2ccc(Cl)cn2)C(NS(C)(=O)=O)C1
InChIInChI=1S/C17H24ClN5O5S/c1-23(2)17(26)10-4-6-12(13(8-10)22-29(3,27)28)20-15(24)16(25)21-14-7-5-11(18)9-19-14/h5,7,9-10,12-13,22H,4,6,8H2,1-3H3,(H,20,24)(H,19,21,25)
InChIKeyNXXNHHMKZMXWCX-UHFFFAOYSA-N
MW445.93 g/mol
LogP-0.04
Rot. Bonds5

About N'-(5-chloro-2-pyridinyl)-N-[4-(dimethylcarbamoyl)-2-(methanesulfonamido)cyclohexyl]oxamide

N'-(5-chloro-2-pyridinyl)-N-[4-(dimethylcarbamoyl)-2-(methanesulfonamido)cyclohexyl]oxamide (PubChem CID 175687289) has the molecular formula C17H24ClN5O5S and a molecular weight of 445.93 g/mol. Its IUPAC name is N'-(5-chloro-2-pyridinyl)-N-[4-(dimethylcarbamoyl)-2-(methanesulfonamido)cyclohexyl]oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-pyridinyl)-N-[4-(dimethylcarbamoyl)-2-(methanesulfonamido)cyclohexyl]oxamide
PubChem CID175687289
Molecular FormulaC17H24ClN5O5S
Molecular Weight445.93 g/mol
Exact Mass445.12
IUPAC NameN'-(5-chloro-2-pyridinyl)-N-[4-(dimethylcarbamoyl)-2-(methanesulfonamido)cyclohexyl]oxamide
SMILESCN(C)C(=O)C1CCC(NC(=O)C(=O)Nc2ccc(Cl)cn2)C(NS(C)(=O)=O)C1
InChIInChI=1S/C17H24ClN5O5S/c1-23(2)17(26)10-4-6-12(13(8-10)22-29(3,27)28)20-15(24)16(25)21-14-7-5-11(18)9-19-14/h5,7,9-10,12-13,22H,4,6,8H2,1-3H3,(H,20,24)(H,19,21,25)
InChIKeyNXXNHHMKZMXWCX-UHFFFAOYSA-N
XLogP-0.04
TPSA137.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.93
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-(5-chloro-2-pyridinyl)-N-[4-(dimethylcarbamoyl)-2-(methanesulfonamido)cyclohexyl]oxamide with MolForge

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Related Compounds

tert-butyl N-[(1R,2S,5S)-2-amino-5-(dimethylcarbamoyl)cyclohexyl]carbamate;tert-butyl N-[(1R,2S,5S)-2-[[2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl]amino]-5-(dimethylcarbamoyl)cyclohexyl]carbamate;ethyl 2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetate;oxalic acid;hydrochloride
CID 167657760
N'-(5-chloro-2-pyridinyl)-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridine-2-carbonyl)amino]cyclohexyl]oxamide;hydrochloride
CID 68590714
N'-(5-chloro-2-pyridinyl)-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide
CID 11541559
N'-(5-chloro-2-pyridinyl)-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-5-oxido-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-carbonyl)amino]cyclohexyl]oxamide
CID 118753693
N'-(5-chloro-2-pyridinyl)-N-[(1S,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide;4-methylbenzenesulfonic acid;hydrate
CID 25104019
N'-(5-chloro-2-pyridinyl)oxamide;N,N-dimethylcyclohexanecarboxamide
CID 142197847
6-[[(1R,2S,5S)-2-[[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethanethioyl]amino]-5-(dimethylcarbamoyl)cyclohexyl]carbamoyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylic acid
CID 89080762
N-[(1S,2R,4S)-2-[(1-cyclohexa-2,4-dien-1-ylsulfonylpiperidine-4-carbonyl)amino]-4-(dimethylcarbamoyl)cyclohexyl]-N'-(5-methyl-2-pyridinyl)oxamide
CID 142914929
N'-(5-chloro-2-pyridinyl)-N-[(1S,2R)-4-(dimethylcarbamothioyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide
CID 88880390
tert-butyl N-[(1R,2S,5S)-2-[3-(5-chloro-2-pyridinyl)prop-2-enoylamino]-5-(dimethylcarbamoyl)cyclohexyl]carbamate
CID 68980574
N-[(1S,2R,4S)-2-amino-4-(dimethylcarbamoyl)cyclohexyl]-N'-(5-chloro-2-pyridinyl)oxamide;tert-butyl N-[(1R,2S,5S)-2-[[2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl]amino]-5-(dimethylcarbamoyl)cyclohexyl]carbamate;bis(N'-(5-chloro-2-pyridinyl)-N-[(1S,2R,4S)-4-(dimethylcarbamoyl)-2-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carbonyl)amino]cyclohexyl]oxamide);methane;4-methylbenzenesulfonic acid;5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid;hydrate;hydrochloride
CID 158332935
2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl chloride
CID 152602540

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-pyridinyl)-N-[4-(dimethylcarbamoyl)-2-(methanesulfonamido)cyclohexyl]oxamide?
The IUPAC name of N'-(5-chloro-2-pyridinyl)-N-[4-(dimethylcarbamoyl)-2-(methanesulfonamido)cyclohexyl]oxamide (CID 175687289) is N'-(5-chloro-2-pyridinyl)-N-[4-(dimethylcarbamoyl)-2-(methanesulfonamido)cyclohexyl]oxamide.
What is the SMILES notation for N'-(5-chloro-2-pyridinyl)-N-[4-(dimethylcarbamoyl)-2-(methanesulfonamido)cyclohexyl]oxamide?
The canonical SMILES for N'-(5-chloro-2-pyridinyl)-N-[4-(dimethylcarbamoyl)-2-(methanesulfonamido)cyclohexyl]oxamide is CN(C)C(=O)C1CCC(NC(=O)C(=O)Nc2ccc(Cl)cn2)C(NS(C)(=O)=O)C1.
What is the InChIKey of N'-(5-chloro-2-pyridinyl)-N-[4-(dimethylcarbamoyl)-2-(methanesulfonamido)cyclohexyl]oxamide?
The InChIKey is NXXNHHMKZMXWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN5O5S/c1-23(2)17(26)10-4-6-12(13(8-10)22-29(3,27)28)20-15(24)16(25)21-14-7-5-11(18)9-19-14/h5,7,9-10,12-13,22H,4,6,8H2,1-3H3,(H,20,24)(H,19,21,25).
What are the key properties of N'-(5-chloro-2-pyridinyl)-N-[4-(dimethylcarbamoyl)-2-(methanesulfonamido)cyclohexyl]oxamide?
N'-(5-chloro-2-pyridinyl)-N-[4-(dimethylcarbamoyl)-2-(methanesulfonamido)cyclohexyl]oxamide has a molecular weight of 445.93 g/mol, XLogP of -0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-pyridinyl)-N-[4-(dimethylcarbamoyl)-2-(methanesulfonamido)cyclohexyl]oxamide is sourced from PubChem (CID 175687289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).