N',3-dihydroxy-5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide

C15H14N6O3 — CID 172932788

IUPACN',3-dihydroxy-5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide
SMILESCc1ccc(-c2cnc(Nc3cnc(/C(N)=N/O)c(O)c3)o2)nc1
InChIInChI=1S/C15H14N6O3/c1-8-2-3-10(17-5-8)12-7-19-15(24-12)20-9-4-11(22)13(18-6-9)14(16)21-23/h2-7,22-23H,1H3,(H2,16,21)(H,19,20)
InChIKeyKYRAQGGAQRQOQN-UHFFFAOYSA-N
MW326.32 g/mol
LogP1.98
Rot. Bonds4

About N',3-dihydroxy-5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide

N',3-dihydroxy-5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide (PubChem CID 172932788) has the molecular formula C15H14N6O3 and a molecular weight of 326.32 g/mol. Its IUPAC name is N',3-dihydroxy-5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN',3-dihydroxy-5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide
PubChem CID172932788
Molecular FormulaC15H14N6O3
Molecular Weight326.32 g/mol
Exact Mass326.11
IUPAC NameN',3-dihydroxy-5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide
SMILESCc1ccc(-c2cnc(Nc3cnc(/C(N)=N/O)c(O)c3)o2)nc1
InChIInChI=1S/C15H14N6O3/c1-8-2-3-10(17-5-8)12-7-19-15(24-12)20-9-4-11(22)13(18-6-9)14(16)21-23/h2-7,22-23H,1H3,(H2,16,21)(H,19,20)
InChIKeyKYRAQGGAQRQOQN-UHFFFAOYSA-N
XLogP1.98
TPSA142.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 51.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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
3-fluoro-N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide
CID 155585112
N,3-dihydroxy-N-methyl-5-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide
CID 167627830
5-[[5-(5-fluoropyrazin-2-yl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide
CID 164936186
5-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide
CID 172942272
5-[[5-[4-(difluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]-N'-hydroxypyridine-2-carboximidamide
CID 155585247
N',3-dihydroxy-5-[[1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]amino]pyridine-2-carboximidamide
CID 155585231
N',5-dihydroxy-2-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-4-carboximidamide
CID 167557307
2-chloro-4-[2-(3,5-dimethylanilino)-1,3-oxazol-5-yl]benzamide;ethane
CID 166108220
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
N'-hydroxy-4-methyl-2-(2-methylimidazol-1-yl)benzenecarboximidamide
CID 62308838

Frequently Asked Questions

What is the IUPAC name of N',3-dihydroxy-5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide?
The IUPAC name of N',3-dihydroxy-5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide (CID 172932788) is N',3-dihydroxy-5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide.
What is the SMILES notation for N',3-dihydroxy-5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide?
The canonical SMILES for N',3-dihydroxy-5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide is Cc1ccc(-c2cnc(Nc3cnc(/C(N)=N/O)c(O)c3)o2)nc1.
What is the InChIKey of N',3-dihydroxy-5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide?
The InChIKey is KYRAQGGAQRQOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O3/c1-8-2-3-10(17-5-8)12-7-19-15(24-12)20-9-4-11(22)13(18-6-9)14(16)21-23/h2-7,22-23H,1H3,(H2,16,21)(H,19,20).
What are the key properties of N',3-dihydroxy-5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide?
N',3-dihydroxy-5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide has a molecular weight of 326.32 g/mol, XLogP of 1.98, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N',3-dihydroxy-5-[[5-(5-methyl-2-pyridinyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide is sourced from PubChem (CID 172932788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).