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

C18H13N5O3 — CID 109109071

IUPAC3-N-(2-cyanophenyl)-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide
SMILESCc1cc(NC(=O)c2cncc(C(=O)Nc3ccccc3C#N)c2)no1
InChIInChI=1S/C18H13N5O3/c1-11-6-16(23-26-11)22-18(25)14-7-13(9-20-10-14)17(24)21-15-5-3-2-4-12(15)8-19/h2-7,9-10H,1H3,(H,21,24)(H,22,23,25)
InChIKeyOEMGFZGTZOEOPP-UHFFFAOYSA-N
MW347.33 g/mol
LogP2.75
Rot. Bonds4

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

3-N-(2-cyanophenyl)-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide (PubChem CID 109109071) has the molecular formula C18H13N5O3 and a molecular weight of 347.33 g/mol. Its IUPAC name is 3-N-(2-cyanophenyl)-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-cyanophenyl)-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide
PubChem CID109109071
Molecular FormulaC18H13N5O3
Molecular Weight347.33 g/mol
Exact Mass347.10
IUPAC Name3-N-(2-cyanophenyl)-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide
SMILESCc1cc(NC(=O)c2cncc(C(=O)Nc3ccccc3C#N)c2)no1
InChIInChI=1S/C18H13N5O3/c1-11-6-16(23-26-11)22-18(25)14-7-13(9-20-10-14)17(24)21-15-5-3-2-4-12(15)8-19/h2-7,9-10H,1H3,(H,21,24)(H,22,23,25)
InChIKeyOEMGFZGTZOEOPP-UHFFFAOYSA-N
XLogP2.75
TPSA120.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-(3-cyanophenyl)-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide
CID 109109078
5-N-(2-chlorophenyl)-3-N-(2-cyanophenyl)pyridine-3,5-dicarboxamide
CID 109108776
N-(2-cyanophenyl)-5-(2-methylanilino)pyridine-3-carboxamide
CID 109241817
3-N-benzyl-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide
CID 109105083
5-N-(2-cyanophenyl)-3-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105328
5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-methylphenyl)pyridine-3-carboxamide
CID 109241732
N-(2-cyanophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 110864656
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
5-(4-acetylpiperazine-1-carbonyl)-N-(2-cyanophenyl)pyridine-3-carboxamide
CID 109104825
5-N-(5-methyl-1,2-oxazol-3-yl)-3-N-[(2-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105168
1-N-(2-cyanophenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077607
N-(2-cyanophenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232741

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-cyanophenyl)-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-(2-cyanophenyl)-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide (CID 109109071) is 3-N-(2-cyanophenyl)-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-(2-cyanophenyl)-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-(2-cyanophenyl)-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide is Cc1cc(NC(=O)c2cncc(C(=O)Nc3ccccc3C#N)c2)no1.
What is the InChIKey of 3-N-(2-cyanophenyl)-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide?
The InChIKey is OEMGFZGTZOEOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O3/c1-11-6-16(23-26-11)22-18(25)14-7-13(9-20-10-14)17(24)21-15-5-3-2-4-12(15)8-19/h2-7,9-10H,1H3,(H,21,24)(H,22,23,25).
What are the key properties of 3-N-(2-cyanophenyl)-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide?
3-N-(2-cyanophenyl)-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide has a molecular weight of 347.33 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-cyanophenyl)-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109109071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).