N,3-dihydroxy-N-methyl-5-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide

C17H16N4O4 — CID 167627830

IUPACN,3-dihydroxy-N-methyl-5-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide
SMILESCc1ccc(-c2cnc(Nc3cnc(C(=O)N(C)O)c(O)c3)o2)cc1
InChIInChI=1S/C17H16N4O4/c1-10-3-5-11(6-4-10)14-9-19-17(25-14)20-12-7-13(22)15(18-8-12)16(23)21(2)24/h3-9,22,24H,1-2H3,(H,19,20)
InChIKeyNIVYTBFEKUKXLD-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.96
Rot. Bonds4

About N,3-dihydroxy-N-methyl-5-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide

N,3-dihydroxy-N-methyl-5-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide (PubChem CID 167627830) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is N,3-dihydroxy-N-methyl-5-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,3-dihydroxy-N-methyl-5-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide
PubChem CID167627830
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC NameN,3-dihydroxy-N-methyl-5-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide
SMILESCc1ccc(-c2cnc(Nc3cnc(C(=O)N(C)O)c(O)c3)o2)cc1
InChIInChI=1S/C17H16N4O4/c1-10-3-5-11(6-4-10)14-9-19-17(25-14)20-12-7-13(22)15(18-8-12)16(23)21(2)24/h3-9,22,24H,1-2H3,(H,19,20)
InChIKeyNIVYTBFEKUKXLD-UHFFFAOYSA-N
XLogP2.96
TPSA111.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N',3-dihydroxy-5-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide
CID 172965921
N',3-dihydroxy-5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide
CID 172932788
N,3-dihydroxy-N-methyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide;3-methoxy-N-[(4-methoxyphenyl)methoxy]-N-methyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide;3-methoxy-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxylic acid;methyl 5-bromo-3-methoxypyridine-2-carboxylate;methyl 3-methoxy-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxylate;5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine
CID 167549818
6-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridin-3-ol
CID 167652045
4-[2-(3,4-dimethylanilino)-1,3-oxazol-5-yl]benzamide
CID 166108152
4-[2-(3-methoxyanilino)-1,3-oxazol-5-yl]benzoic acid
CID 166108179
2-chloro-4-[2-(3,5-dimethylanilino)-1,3-oxazol-5-yl]benzamide;ethane
CID 166108220
1-hydroxy-6-methyl-4-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridin-2-one
CID 155585257
3-[[5-(4-cyanophenyl)-1,3-oxazol-2-yl]amino]-N,N-diethyl-5-methoxybenzamide
CID 166108154
2-chloro-4-[2-(3-fluoro-5-methylanilino)-1,3-oxazol-5-yl]benzoic acid
CID 166108177
methyl 5-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxylate
CID 155585480
4-[2-(5-acetyl-2-methylanilino)-1,3-oxazol-5-yl]benzamide
CID 11965524

Frequently Asked Questions

What is the IUPAC name of N,3-dihydroxy-N-methyl-5-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide?
The IUPAC name of N,3-dihydroxy-N-methyl-5-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide (CID 167627830) is N,3-dihydroxy-N-methyl-5-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N,3-dihydroxy-N-methyl-5-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide?
The canonical SMILES for N,3-dihydroxy-N-methyl-5-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide is Cc1ccc(-c2cnc(Nc3cnc(C(=O)N(C)O)c(O)c3)o2)cc1.
What is the InChIKey of N,3-dihydroxy-N-methyl-5-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide?
The InChIKey is NIVYTBFEKUKXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-10-3-5-11(6-4-10)14-9-19-17(25-14)20-12-7-13(22)15(18-8-12)16(23)21(2)24/h3-9,22,24H,1-2H3,(H,19,20).
What are the key properties of N,3-dihydroxy-N-methyl-5-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide?
N,3-dihydroxy-N-methyl-5-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide has a molecular weight of 340.34 g/mol, XLogP of 2.96, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dihydroxy-N-methyl-5-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 167627830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).