N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide

C18H14ClN7O2 — CID 86996859

IUPACN-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide
SMILESO=C(NCc1cn2cc(Cl)ccc2n1)C(=O)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C18H14ClN7O2/c19-12-1-6-16-23-14(9-25(16)8-12)7-21-17(27)18(28)24-13-2-4-15(5-3-13)26-11-20-10-22-26/h1-6,8-11H,7H2,(H,21,27)(H,24,28)
InChIKeyRDJZSGSDEGISGI-UHFFFAOYSA-N
MW395.81 g/mol
LogP1.82
Rot. Bonds4

About N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide

N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide (PubChem CID 86996859) has the molecular formula C18H14ClN7O2 and a molecular weight of 395.81 g/mol. Its IUPAC name is N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide.

Molecular Properties

Compound NameN-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide
PubChem CID86996859
Molecular FormulaC18H14ClN7O2
Molecular Weight395.81 g/mol
Exact Mass395.09
IUPAC NameN-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide
SMILESO=C(NCc1cn2cc(Cl)ccc2n1)C(=O)Nc1ccc(-n2cncn2)cc1
InChIInChI=1S/C18H14ClN7O2/c19-12-1-6-16-23-14(9-25(16)8-12)7-21-17(27)18(28)24-13-2-4-15(5-3-13)26-11-20-10-22-26/h1-6,8-11H,7H2,(H,21,27)(H,24,28)
InChIKeyRDJZSGSDEGISGI-UHFFFAOYSA-N
XLogP1.82
TPSA106.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.81
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(pyridin-3-ylmethyl)-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide
CID 86995384
N-[(3-methoxyphenyl)methyl]-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide
CID 86995676
2-bromo-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 63680079
2-(aminomethyl)-N-[4-(1,2,4-triazol-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 66376479
[4-(1,2,4-triazol-1-yl)phenyl]carbamic acid
CID 66927702
N-[(1-phenylcyclopropyl)methyl]-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide
CID 86996807
5-chloro-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-fluorobenzamide
CID 86917632
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3,3-dimethylbutanamide
CID 47150050
5-acetyl-N-[4-(1,2,4-triazol-1-yl)phenyl]thiophene-2-carboxamide
CID 37121264
4-chloro-N-[1-oxo-3-phenyl-1-[4-(1,2,4-triazol-1-yl)anilino]propan-2-yl]benzamide
CID 55909729
2-methylsulfanyl-N-[4-(1,2,4-triazol-1-yl)phenyl]acetamide
CID 47156538
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]urea
CID 55922211

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide?
The IUPAC name of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide (CID 86996859) is N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide.
What is the SMILES notation for N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide?
The canonical SMILES for N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide is O=C(NCc1cn2cc(Cl)ccc2n1)C(=O)Nc1ccc(-n2cncn2)cc1.
What is the InChIKey of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide?
The InChIKey is RDJZSGSDEGISGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN7O2/c19-12-1-6-16-23-14(9-25(16)8-12)7-21-17(27)18(28)24-13-2-4-15(5-3-13)26-11-20-10-22-26/h1-6,8-11H,7H2,(H,21,27)(H,24,28).
What are the key properties of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide?
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide has a molecular weight of 395.81 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-N'-[4-(1,2,4-triazol-1-yl)phenyl]oxamide is sourced from PubChem (CID 86996859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).