N-(2-chloro-3-pyridinyl)-N'-(4-methyl-2-pyridinyl)oxamide

C13H11ClN4O2 — CID 108520500

IUPACN-(2-chloro-3-pyridinyl)-N'-(4-methyl-2-pyridinyl)oxamide
SMILESCc1ccnc(NC(=O)C(=O)Nc2cccnc2Cl)c1
InChIInChI=1S/C13H11ClN4O2/c1-8-4-6-15-10(7-8)18-13(20)12(19)17-9-3-2-5-16-11(9)14/h2-7H,1H3,(H,17,19)(H,15,18,20)
InChIKeyGPTPIMKHEJAMOV-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.02
Rot. Bonds2

About N-(2-chloro-3-pyridinyl)-N'-(4-methyl-2-pyridinyl)oxamide

N-(2-chloro-3-pyridinyl)-N'-(4-methyl-2-pyridinyl)oxamide (PubChem CID 108520500) has the molecular formula C13H11ClN4O2 and a molecular weight of 290.71 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-N'-(4-methyl-2-pyridinyl)oxamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-N'-(4-methyl-2-pyridinyl)oxamide
PubChem CID108520500
Molecular FormulaC13H11ClN4O2
Molecular Weight290.71 g/mol
Exact Mass290.06
IUPAC NameN-(2-chloro-3-pyridinyl)-N'-(4-methyl-2-pyridinyl)oxamide
SMILESCc1ccnc(NC(=O)C(=O)Nc2cccnc2Cl)c1
InChIInChI=1S/C13H11ClN4O2/c1-8-4-6-15-10(7-8)18-13(20)12(19)17-9-3-2-5-16-11(9)14/h2-7H,1H3,(H,17,19)(H,15,18,20)
InChIKeyGPTPIMKHEJAMOV-UHFFFAOYSA-N
XLogP2.02
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylphenyl)-N'-(4-methyl-2-pyridinyl)oxamide
CID 45000004
N-(2,4-dichlorophenyl)-N'-(4-methyl-2-pyridinyl)oxamide
CID 108502942
N-(2-methoxyphenyl)-N'-(4-methyl-2-pyridinyl)oxamide
CID 45000000
N-(2-carbamoylphenyl)-N'-(4-methyl-2-pyridinyl)oxamide
CID 108529456
N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 46307927
N-[(2-chlorophenyl)methyl]-N'-(4-methyl-2-pyridinyl)oxamide
CID 44999999
2-amino-N-(2-chloro-3-pyridinyl)-4-methylbenzamide
CID 14209972
3-hydroxy-N-(4-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 54861359
3-chloro-N-(2-chloro-3-pyridinyl)-5-methylbenzamide
CID 103773111
N-(2-chloro-3-pyridinyl)-2-(methylamino)acetamide
CID 43222204
2-N,6-N-bis(4-methyl-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 4130002
N'-(2,5-dimethylphenyl)-N-pyridin-2-yloxamide
CID 44999307

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-N'-(4-methyl-2-pyridinyl)oxamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-N'-(4-methyl-2-pyridinyl)oxamide (CID 108520500) is N-(2-chloro-3-pyridinyl)-N'-(4-methyl-2-pyridinyl)oxamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-N'-(4-methyl-2-pyridinyl)oxamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-N'-(4-methyl-2-pyridinyl)oxamide is Cc1ccnc(NC(=O)C(=O)Nc2cccnc2Cl)c1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-N'-(4-methyl-2-pyridinyl)oxamide?
The InChIKey is GPTPIMKHEJAMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2/c1-8-4-6-15-10(7-8)18-13(20)12(19)17-9-3-2-5-16-11(9)14/h2-7H,1H3,(H,17,19)(H,15,18,20).
What are the key properties of N-(2-chloro-3-pyridinyl)-N'-(4-methyl-2-pyridinyl)oxamide?
N-(2-chloro-3-pyridinyl)-N'-(4-methyl-2-pyridinyl)oxamide has a molecular weight of 290.71 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-N'-(4-methyl-2-pyridinyl)oxamide is sourced from PubChem (CID 108520500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).