4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide

C14H10ClN3O2 — CID 81225184

IUPAC4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
SMILESCc1nc2cc(NC(=O)c3cnccc3Cl)ccc2o1
InChIInChI=1S/C14H10ClN3O2/c1-8-17-12-6-9(2-3-13(12)20-8)18-14(19)10-7-16-5-4-11(10)15/h2-7H,1H3,(H,18,19)
InChIKeyALILRLSJGGKUTN-UHFFFAOYSA-N
MW287.71 g/mol
LogP3.44
Rot. Bonds2

About 4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide

4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide (PubChem CID 81225184) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
PubChem CID81225184
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
SMILESCc1nc2cc(NC(=O)c3cnccc3Cl)ccc2o1
InChIInChI=1S/C14H10ClN3O2/c1-8-17-12-6-9(2-3-13(12)20-8)18-14(19)10-7-16-5-4-11(10)15/h2-7H,1H3,(H,18,19)
InChIKeyALILRLSJGGKUTN-UHFFFAOYSA-N
XLogP3.44
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 25474421
5,6-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 60655081
2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)furan-3-carboxamide
CID 26662736
4,6-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 166401291
6-chloro-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)quinoline-3-carboxamide
CID 37040651
N-(2-methyl-1,3-benzoxazol-5-yl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 46491961
5-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625344
2-amino-5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 62059208
5-amino-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 61292124
1-(3-chlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)-5-propan-2-ylpyrazole-4-carboxamide
CID 39677997
5-bromo-2-iodo-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 34749993
N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybenzamide
CID 30035454

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide (CID 81225184) is 4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide is Cc1nc2cc(NC(=O)c3cnccc3Cl)ccc2o1.
What is the InChIKey of 4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide?
The InChIKey is ALILRLSJGGKUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c1-8-17-12-6-9(2-3-13(12)20-8)18-14(19)10-7-16-5-4-11(10)15/h2-7H,1H3,(H,18,19).
What are the key properties of 4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide?
4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide has a molecular weight of 287.71 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 81225184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).