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

C18H16N4O3 — CID 109105083

IUPAC3-N-benzyl-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide
SMILESCc1cc(NC(=O)c2cncc(C(=O)NCc3ccccc3)c2)no1
InChIInChI=1S/C18H16N4O3/c1-12-7-16(22-25-12)21-18(24)15-8-14(10-19-11-15)17(23)20-9-13-5-3-2-4-6-13/h2-8,10-11H,9H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyLEZUKLKQCVWMNH-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.56
Rot. Bonds5

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

3-N-benzyl-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide (PubChem CID 109105083) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 3-N-benzyl-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide
PubChem CID109105083
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name3-N-benzyl-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide
SMILESCc1cc(NC(=O)c2cncc(C(=O)NCc3ccccc3)c2)no1
InChIInChI=1S/C18H16N4O3/c1-12-7-16(22-25-12)21-18(24)15-8-14(10-19-11-15)17(23)20-9-13-5-3-2-4-6-13/h2-8,10-11H,9H2,1H3,(H,20,23)(H,21,22,24)
InChIKeyLEZUKLKQCVWMNH-UHFFFAOYSA-N
XLogP2.56
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(5-methyl-1,2-oxazol-3-yl)-3-N-[(2-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105168
5-(N-benzylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109246079
N-benzyl-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108945355
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
N-(5-methyl-1,2-oxazol-3-yl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109235488
3-N-(2-cyanophenyl)-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide
CID 109109071
3-N-benzyl-5-N-(4-tert-butylphenyl)pyridine-3,5-dicarboxamide
CID 109105034
5-N-(3-acetylphenyl)-3-N-benzylpyridine-3,5-dicarboxamide
CID 109105062
3-N-benzyl-5-N-(4-chloro-2-methylphenyl)pyridine-3,5-dicarboxamide
CID 109105042
3-N-benzyl-5-N-(2,6-difluorophenyl)pyridine-3,5-dicarboxamide
CID 109105081
4-N-benzyl-4-N-methyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109047153
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047624

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-benzyl-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide (CID 109105083) is 3-N-benzyl-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-benzyl-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide is Cc1cc(NC(=O)c2cncc(C(=O)NCc3ccccc3)c2)no1.
What is the InChIKey of 3-N-benzyl-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide?
The InChIKey is LEZUKLKQCVWMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-12-7-16(22-25-12)21-18(24)15-8-14(10-19-11-15)17(23)20-9-13-5-3-2-4-6-13/h2-8,10-11H,9H2,1H3,(H,20,23)(H,21,22,24).
What are the key properties of 3-N-benzyl-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide?
3-N-benzyl-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide has a molecular weight of 336.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109105083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).