6-(2,5-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide

C18H18N4O4 — CID 109164323

IUPAC6-(2,5-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
SMILESCOc1ccc(OC)c(Nc2ccc(C(=O)Nc3cc(C)on3)cn2)c1
InChIInChI=1S/C18H18N4O4/c1-11-8-17(22-26-11)21-18(23)12-4-7-16(19-10-12)20-14-9-13(24-2)5-6-15(14)25-3/h4-10H,1-3H3,(H,19,20)(H,21,22,23)
InChIKeySHHKNLKTDSVHIC-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.39
Rot. Bonds6

About 6-(2,5-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide

6-(2,5-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide (PubChem CID 109164323) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is 6-(2,5-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2,5-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
PubChem CID109164323
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name6-(2,5-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
SMILESCOc1ccc(OC)c(Nc2ccc(C(=O)Nc3cc(C)on3)cn2)c1
InChIInChI=1S/C18H18N4O4/c1-11-8-17(22-26-11)21-18(23)12-4-7-16(19-10-12)20-14-9-13(24-2)5-6-15(14)25-3/h4-10H,1-3H3,(H,19,20)(H,21,22,23)
InChIKeySHHKNLKTDSVHIC-UHFFFAOYSA-N
XLogP3.39
TPSA98.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide?
The IUPAC name of 6-(2,5-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide (CID 109164323) is 6-(2,5-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(2,5-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-(2,5-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide is COc1ccc(OC)c(Nc2ccc(C(=O)Nc3cc(C)on3)cn2)c1.
What is the InChIKey of 6-(2,5-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide?
The InChIKey is SHHKNLKTDSVHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-11-8-17(22-26-11)21-18(23)12-4-7-16(19-10-12)20-14-9-13(24-2)5-6-15(14)25-3/h4-10H,1-3H3,(H,19,20)(H,21,22,23).
What are the key properties of 6-(2,5-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide?
6-(2,5-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethoxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109164323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).