N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenoxyanilino)pyridine-2-carboxamide

C22H18N4O3 — CID 109222599

IUPACN-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenoxyanilino)pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(Nc3ccccc3Oc3ccccc3)ccn2)no1
InChIInChI=1S/C22H18N4O3/c1-15-13-21(26-29-15)25-22(27)19-14-16(11-12-23-19)24-18-9-5-6-10-20(18)28-17-7-3-2-4-8-17/h2-14H,1H3,(H,23,24)(H,25,26,27)
InChIKeyJLCGVJQSBQBBLV-UHFFFAOYSA-N
MW386.41 g/mol
LogP5.17
Rot. Bonds6

About N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenoxyanilino)pyridine-2-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenoxyanilino)pyridine-2-carboxamide (PubChem CID 109222599) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenoxyanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenoxyanilino)pyridine-2-carboxamide
PubChem CID109222599
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenoxyanilino)pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(Nc3ccccc3Oc3ccccc3)ccn2)no1
InChIInChI=1S/C22H18N4O3/c1-15-13-21(26-29-15)25-22(27)19-14-16(11-12-23-19)24-18-9-5-6-10-20(18)28-17-7-3-2-4-8-17/h2-14H,1H3,(H,23,24)(H,25,26,27)
InChIKeyJLCGVJQSBQBBLV-UHFFFAOYSA-N
XLogP5.17
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.41
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-phenoxyphenyl)pyridine-2-carboxamide
CID 109200821
5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-phenoxyphenyl)pyrazine-2-carboxamide
CID 109294525
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenoxyanilino)pyrimidine-4-carboxamide
CID 109318464
N-(5-methyl-1,2-oxazol-3-yl)-4-(2-morpholin-4-ylanilino)pyridine-2-carboxamide
CID 109222411
4-hydrazinyl-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 62249910
N-(5-methyl-1,2-oxazol-3-yl)-6-(4-phenoxyanilino)pyridazine-3-carboxamide
CID 109130085
4-(3-acetylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109222149
4-(4-tert-butylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109220589
4-[2-chloro-5-(trifluoromethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109222326
1-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(2-phenoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109144136
4-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109219134
4-[3-(dimethylamino)propylamino]-N-(2-phenoxyphenyl)pyridine-2-carboxamide
CID 109208035

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenoxyanilino)pyridine-2-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenoxyanilino)pyridine-2-carboxamide (CID 109222599) is N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenoxyanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenoxyanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenoxyanilino)pyridine-2-carboxamide is Cc1cc(NC(=O)c2cc(Nc3ccccc3Oc3ccccc3)ccn2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenoxyanilino)pyridine-2-carboxamide?
The InChIKey is JLCGVJQSBQBBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-15-13-21(26-29-15)25-22(27)19-14-16(11-12-23-19)24-18-9-5-6-10-20(18)28-17-7-3-2-4-8-17/h2-14H,1H3,(H,23,24)(H,25,26,27).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenoxyanilino)pyridine-2-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenoxyanilino)pyridine-2-carboxamide has a molecular weight of 386.41 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenoxyanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109222599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).