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

C23H20N4O2 — CID 109246079

IUPAC5-(N-benzylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cncc(N(Cc3ccccc3)c3ccccc3)c2)no1
InChIInChI=1S/C23H20N4O2/c1-17-12-22(26-29-17)25-23(28)19-13-21(15-24-14-19)27(20-10-6-3-7-11-20)16-18-8-4-2-5-9-18/h2-15H,16H2,1H3,(H,25,26,28)
InChIKeyIKYJBMOOSOEBEN-UHFFFAOYSA-N
MW384.44 g/mol
LogP4.97
Rot. Bonds6

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

5-(N-benzylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide (PubChem CID 109246079) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 5-(N-benzylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(N-benzylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
PubChem CID109246079
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name5-(N-benzylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2cncc(N(Cc3ccccc3)c3ccccc3)c2)no1
InChIInChI=1S/C23H20N4O2/c1-17-12-22(26-29-17)25-23(28)19-13-21(15-24-14-19)27(20-10-6-3-7-11-20)16-18-8-4-2-5-9-18/h2-15H,16H2,1H3,(H,25,26,28)
InChIKeyIKYJBMOOSOEBEN-UHFFFAOYSA-N
XLogP4.97
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-benzyl-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide
CID 109105083
2-[benzyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 109256874
4-N-benzyl-4-N-methyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109047153
5-(N-benzylanilino)-N-butylpyridine-3-carboxamide
CID 109224497
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
5-(N-benzylanilino)-N-prop-2-enylpyridine-3-carboxamide
CID 109224105
5-[benzyl(methyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109189340
6-[benzyl(propan-2-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109161118
5-N-(5-methyl-1,2-oxazol-3-yl)-3-N-[(2-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105168
N-(5-methyl-1,2-oxazol-3-yl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109235488
4-N-ethyl-1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-phenylbenzene-1,4-dicarboxamide
CID 109049803
4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 109060838

Frequently Asked Questions

What is the IUPAC name of 5-(N-benzylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide?
The IUPAC name of 5-(N-benzylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide (CID 109246079) is 5-(N-benzylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(N-benzylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-(N-benzylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide is Cc1cc(NC(=O)c2cncc(N(Cc3ccccc3)c3ccccc3)c2)no1.
What is the InChIKey of 5-(N-benzylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide?
The InChIKey is IKYJBMOOSOEBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-17-12-22(26-29-17)25-23(28)19-13-21(15-24-14-19)27(20-10-6-3-7-11-20)16-18-8-4-2-5-9-18/h2-15H,16H2,1H3,(H,25,26,28).
What are the key properties of 5-(N-benzylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide?
5-(N-benzylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide has a molecular weight of 384.44 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-benzylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109246079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).