5,6-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide

C14H9Cl2N3O2 — CID 60655081

IUPAC5,6-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
SMILESCc1nc2cc(NC(=O)c3cnc(Cl)c(Cl)c3)ccc2o1
InChIInChI=1S/C14H9Cl2N3O2/c1-7-18-11-5-9(2-3-12(11)21-7)19-14(20)8-4-10(15)13(16)17-6-8/h2-6H,1H3,(H,19,20)
InChIKeyNQQFGRLLOMOZBC-UHFFFAOYSA-N
MW322.15 g/mol
LogP4.09
Rot. Bonds2

About 5,6-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide

5,6-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide (PubChem CID 60655081) has the molecular formula C14H9Cl2N3O2 and a molecular weight of 322.15 g/mol. Its IUPAC name is 5,6-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
PubChem CID60655081
Molecular FormulaC14H9Cl2N3O2
Molecular Weight322.15 g/mol
Exact Mass321.01
IUPAC Name5,6-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
SMILESCc1nc2cc(NC(=O)c3cnc(Cl)c(Cl)c3)ccc2o1
InChIInChI=1S/C14H9Cl2N3O2/c1-7-18-11-5-9(2-3-12(11)21-7)19-14(20)8-4-10(15)13(16)17-6-8/h2-6H,1H3,(H,19,20)
InChIKeyNQQFGRLLOMOZBC-UHFFFAOYSA-N
XLogP4.09
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-1,3-benzoxazol-5-yl)-2H-triazolo[4,5-b]pyridine-6-carboxamide
CID 167943195
4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 81225184
2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 166210603
N-(2-methyl-1,3-benzoxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 17462153
4-chloro-2-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 25474421
6-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)quinoline-3-carboxamide
CID 37040651
1-benzyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24622636
5-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625344
4,6-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 166401291
N-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,5-a]pyridine-7-carboxamide
CID 112525565
4-chloro-3-(diethylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 26663982
2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)furan-3-carboxamide
CID 26662736

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide (CID 60655081) is 5,6-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide is Cc1nc2cc(NC(=O)c3cnc(Cl)c(Cl)c3)ccc2o1.
What is the InChIKey of 5,6-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide?
The InChIKey is NQQFGRLLOMOZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O2/c1-7-18-11-5-9(2-3-12(11)21-7)19-14(20)8-4-10(15)13(16)17-6-8/h2-6H,1H3,(H,19,20).
What are the key properties of 5,6-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide?
5,6-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide has a molecular weight of 322.15 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 60655081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).