4,6-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide

C16H15N3O2 — CID 166401291

IUPAC4,6-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)Nc2ccc3oc(C)nc3c2)cn1
InChIInChI=1S/C16H15N3O2/c1-9-6-10(2)17-8-13(9)16(20)19-12-4-5-15-14(7-12)18-11(3)21-15/h4-8H,1-3H3,(H,19,20)
InChIKeyDDLYNRMAMFLEGX-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.40
Rot. Bonds2

About 4,6-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide

4,6-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide (PubChem CID 166401291) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 4,6-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
PubChem CID166401291
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name4,6-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)Nc2ccc3oc(C)nc3c2)cn1
InChIInChI=1S/C16H15N3O2/c1-9-6-10(2)17-8-13(9)16(20)19-12-4-5-15-14(7-12)18-11(3)21-15/h4-8H,1-3H3,(H,19,20)
InChIKeyDDLYNRMAMFLEGX-UHFFFAOYSA-N
XLogP3.40
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)furan-3-carboxamide
CID 26662736
5-amino-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 61292124
4-chloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 81225184
2-amino-5-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 62059208
5,7-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 34979505
5-bromo-2-iodo-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 34749993
4-chloro-2-fluoro-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 25474421
1-(3,4-dimethylphenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)urea
CID 126141306
5,6-dichloro-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 60655081
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)-2-phenoxybenzamide
CID 30035454
2-[(S)-ethylsulfinyl]-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 11944536

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide?
The IUPAC name of 4,6-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide (CID 166401291) is 4,6-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4,6-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for 4,6-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide is Cc1cc(C)c(C(=O)Nc2ccc3oc(C)nc3c2)cn1.
What is the InChIKey of 4,6-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide?
The InChIKey is DDLYNRMAMFLEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-9-6-10(2)17-8-13(9)16(20)19-12-4-5-15-14(7-12)18-11(3)21-15/h4-8H,1-3H3,(H,19,20).
What are the key properties of 4,6-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide?
4,6-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-(2-methyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 166401291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).