N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide

C13H15N3O3 — CID 47169936

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1noc(C)c1CN(C)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H15N3O3/c1-8-11(9(2)19-15-8)7-16(3)13(18)10-4-5-12(17)14-6-10/h4-6H,7H2,1-3H3,(H,14,17)
InChIKeyBDQXXVJKWMJXBQ-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.25
Rot. Bonds3

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 47169936) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
PubChem CID47169936
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1noc(C)c1CN(C)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H15N3O3/c1-8-11(9(2)19-15-8)7-16(3)13(18)10-4-5-12(17)14-6-10/h4-6H,7H2,1-3H3,(H,14,17)
InChIKeyBDQXXVJKWMJXBQ-UHFFFAOYSA-N
XLogP1.25
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide (CID 47169936) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide is Cc1noc(C)c1CN(C)C(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is BDQXXVJKWMJXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8-11(9(2)19-15-8)7-16(3)13(18)10-4-5-12(17)14-6-10/h4-6H,7H2,1-3H3,(H,14,17).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 47169936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).