4-N-(4-acetamidophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide

C19H17N5O4 — CID 109093229

IUPAC4-N-(4-acetamidophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccnc(C(=O)Nc3cc(C)on3)c2)cc1
InChIInChI=1S/C19H17N5O4/c1-11-9-17(24-28-11)23-19(27)16-10-13(7-8-20-16)18(26)22-15-5-3-14(4-6-15)21-12(2)25/h3-10H,1-2H3,(H,21,25)(H,22,26)(H,23,24,27)
InChIKeySIPKJJBNQUALSF-UHFFFAOYSA-N
MW379.38 g/mol
LogP2.84
Rot. Bonds5

About 4-N-(4-acetamidophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide

4-N-(4-acetamidophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide (PubChem CID 109093229) has the molecular formula C19H17N5O4 and a molecular weight of 379.38 g/mol. Its IUPAC name is 4-N-(4-acetamidophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-acetamidophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
PubChem CID109093229
Molecular FormulaC19H17N5O4
Molecular Weight379.38 g/mol
Exact Mass379.13
IUPAC Name4-N-(4-acetamidophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccnc(C(=O)Nc3cc(C)on3)c2)cc1
InChIInChI=1S/C19H17N5O4/c1-11-9-17(24-28-11)23-19(27)16-10-13(7-8-20-16)18(26)22-15-5-3-14(4-6-15)21-12(2)25/h3-10H,1-2H3,(H,21,25)(H,22,26)(H,23,24,27)
InChIKeySIPKJJBNQUALSF-UHFFFAOYSA-N
XLogP2.84
TPSA126.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-acetamidophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(4-acetamidophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide (CID 109093229) is 4-N-(4-acetamidophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-acetamidophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(4-acetamidophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide is CC(=O)Nc1ccc(NC(=O)c2ccnc(C(=O)Nc3cc(C)on3)c2)cc1.
What is the InChIKey of 4-N-(4-acetamidophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide?
The InChIKey is SIPKJJBNQUALSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O4/c1-11-9-17(24-28-11)23-19(27)16-10-13(7-8-20-16)18(26)22-15-5-3-14(4-6-15)21-12(2)25/h3-10H,1-2H3,(H,21,25)(H,22,26)(H,23,24,27).
What are the key properties of 4-N-(4-acetamidophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide?
4-N-(4-acetamidophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide has a molecular weight of 379.38 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-acetamidophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109093229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).