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

C14H10ClN3O2 — CID 87388292

IUPAC2-chloro-N-(5-methyl-1,2-benzoxazol-3-yl)pyridine-3-carboxamide
SMILESCc1ccc2onc(NC(=O)c3cccnc3Cl)c2c1
InChIInChI=1S/C14H10ClN3O2/c1-8-4-5-11-10(7-8)13(18-20-11)17-14(19)9-3-2-6-16-12(9)15/h2-7H,1H3,(H,17,18,19)
InChIKeyGKRYEUIMBDRHCV-UHFFFAOYSA-N
MW287.71 g/mol
LogP3.44
Rot. Bonds2

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

2-chloro-N-(5-methyl-1,2-benzoxazol-3-yl)pyridine-3-carboxamide (PubChem CID 87388292) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 2-chloro-N-(5-methyl-1,2-benzoxazol-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(5-methyl-1,2-benzoxazol-3-yl)pyridine-3-carboxamide
PubChem CID87388292
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name2-chloro-N-(5-methyl-1,2-benzoxazol-3-yl)pyridine-3-carboxamide
SMILESCc1ccc2onc(NC(=O)c3cccnc3Cl)c2c1
InChIInChI=1S/C14H10ClN3O2/c1-8-4-5-11-10(7-8)13(18-20-11)17-14(19)9-3-2-6-16-12(9)15/h2-7H,1H3,(H,17,18,19)
InChIKeyGKRYEUIMBDRHCV-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

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(5-methyl-1,2-benzoxazol-3-yl)benzamide
CID 11989435
2-chloro-N-(2-methoxy-4-methylphenyl)pyridine-3-carboxamide
CID 61042493
2-chloro-N-(3-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 103892911
2-[(2-chloropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 114036719
2-chloro-N-(5-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 103738978
2-chloro-N-[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 16740412
2-chloro-N-(5-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 587751
2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 3809613
2-chloro-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 903690
2-chloro-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 8838906
N-(3-chloro-2-pyridinyl)-2,4-dimethylbenzamide
CID 103892998
2-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide
CID 115569525

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-methyl-1,2-benzoxazol-3-yl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(5-methyl-1,2-benzoxazol-3-yl)pyridine-3-carboxamide (CID 87388292) is 2-chloro-N-(5-methyl-1,2-benzoxazol-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(5-methyl-1,2-benzoxazol-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(5-methyl-1,2-benzoxazol-3-yl)pyridine-3-carboxamide is Cc1ccc2onc(NC(=O)c3cccnc3Cl)c2c1.
What is the InChIKey of 2-chloro-N-(5-methyl-1,2-benzoxazol-3-yl)pyridine-3-carboxamide?
The InChIKey is GKRYEUIMBDRHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c1-8-4-5-11-10(7-8)13(18-20-11)17-14(19)9-3-2-6-16-12(9)15/h2-7H,1H3,(H,17,18,19).
What are the key properties of 2-chloro-N-(5-methyl-1,2-benzoxazol-3-yl)pyridine-3-carboxamide?
2-chloro-N-(5-methyl-1,2-benzoxazol-3-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 2-chloro-N-(5-methyl-1,2-benzoxazol-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 87388292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).