N'-(5-chloro-2-pyridinyl)oxamide;N,N-dimethylcyclohexanecarboxamide

C16H23ClN4O3 — CID 142197847

IUPACN'-(5-chloro-2-pyridinyl)oxamide;N,N-dimethylcyclohexanecarboxamide
SMILESCN(C)C(=O)C1CCCCC1.NC(=O)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C9H17NO.C7H6ClN3O2/c1-10(2)9(11)8-6-4-3-5-7-8;8-4-1-2-5(10-3-4)11-7(13)6(9)12/h8H,3-7H2,1-2H3;1-3H,(H2,9,12)(H,10,11,13)
InChIKeyIOBSAWOFAIOBEW-UHFFFAOYSA-N
MW354.84 g/mol
LogP1.81
Rot. Bonds2

About N'-(5-chloro-2-pyridinyl)oxamide;N,N-dimethylcyclohexanecarboxamide

N'-(5-chloro-2-pyridinyl)oxamide;N,N-dimethylcyclohexanecarboxamide (PubChem CID 142197847) has the molecular formula C16H23ClN4O3 and a molecular weight of 354.84 g/mol. Its IUPAC name is N'-(5-chloro-2-pyridinyl)oxamide;N,N-dimethylcyclohexanecarboxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-pyridinyl)oxamide;N,N-dimethylcyclohexanecarboxamide
PubChem CID142197847
Molecular FormulaC16H23ClN4O3
Molecular Weight354.84 g/mol
Exact Mass354.15
IUPAC NameN'-(5-chloro-2-pyridinyl)oxamide;N,N-dimethylcyclohexanecarboxamide
SMILESCN(C)C(=O)C1CCCCC1.NC(=O)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C9H17NO.C7H6ClN3O2/c1-10(2)9(11)8-6-4-3-5-7-8;8-4-1-2-5(10-3-4)11-7(13)6(9)12/h8H,3-7H2,1-2H3;1-3H,(H2,9,12)(H,10,11,13)
InChIKeyIOBSAWOFAIOBEW-UHFFFAOYSA-N
XLogP1.81
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-chloro-2-pyridinyl)oxamide;hydrochloride
CID 22934756
N'-(5-chloro-2-pyridinyl)oxamide;2,2,2-trifluoroacetic acid
CID 175200549
N'-(5-chloro-2-pyridinyl)-N-[4-(dimethylcarbamoyl)-2-(methanesulfonamido)cyclohexyl]oxamide
CID 175687289
2-[(5-chloro-2-pyridinyl)amino]prop-2-enamide
CID 144725411
N-(5-chloro-2-pyridinyl)-2-[methyl-(4-methylcyclohexyl)amino]acetamide
CID 47118067
2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl chloride
CID 152602540
N-[5-(4-chloroanilino)-2-pyridinyl]cyclohexanecarboxamide
CID 113033361
N'-(5-methyl-2-pyridinyl)oxamide
CID 23087857
5-chloro-N-(5-chloro-2-pyridinyl)-2-[(1-cycloheptylpiperidin-4-yl)-methylamino]benzamide
CID 54010729
(3S)-1-[(2S)-1-amino-1-oxopropan-2-yl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 94135862
N-methyl-N-[6-(methylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 115268525
[(3S)-3-(dimethylcarbamoyl)cyclohexyl]-[[2-[(5-fluoro-2-pyridinyl)amino]-2-oxoethanethioyl]amino]carbamic acid
CID 87252195

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-pyridinyl)oxamide;N,N-dimethylcyclohexanecarboxamide?
The IUPAC name of N'-(5-chloro-2-pyridinyl)oxamide;N,N-dimethylcyclohexanecarboxamide (CID 142197847) is N'-(5-chloro-2-pyridinyl)oxamide;N,N-dimethylcyclohexanecarboxamide.
What is the SMILES notation for N'-(5-chloro-2-pyridinyl)oxamide;N,N-dimethylcyclohexanecarboxamide?
The canonical SMILES for N'-(5-chloro-2-pyridinyl)oxamide;N,N-dimethylcyclohexanecarboxamide is CN(C)C(=O)C1CCCCC1.NC(=O)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N'-(5-chloro-2-pyridinyl)oxamide;N,N-dimethylcyclohexanecarboxamide?
The InChIKey is IOBSAWOFAIOBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C7H6ClN3O2/c1-10(2)9(11)8-6-4-3-5-7-8;8-4-1-2-5(10-3-4)11-7(13)6(9)12/h8H,3-7H2,1-2H3;1-3H,(H2,9,12)(H,10,11,13).
What are the key properties of N'-(5-chloro-2-pyridinyl)oxamide;N,N-dimethylcyclohexanecarboxamide?
N'-(5-chloro-2-pyridinyl)oxamide;N,N-dimethylcyclohexanecarboxamide has a molecular weight of 354.84 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-pyridinyl)oxamide;N,N-dimethylcyclohexanecarboxamide is sourced from PubChem (CID 142197847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).