N'-hydroxy-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]pyridine-2-carboximidamide

C12H15N5O2 — CID 136811550

IUPACN'-hydroxy-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]pyridine-2-carboximidamide
SMILESCc1cnc(CNCc2ccnc(/C(N)=N/O)c2)o1
InChIInChI=1S/C12H15N5O2/c1-8-5-16-11(19-8)7-14-6-9-2-3-15-10(4-9)12(13)17-18/h2-5,14,18H,6-7H2,1H3,(H2,13,17)
InChIKeyWFCRBBLCOOIVMM-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.76
Rot. Bonds5

About N'-hydroxy-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]pyridine-2-carboximidamide

N'-hydroxy-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]pyridine-2-carboximidamide (PubChem CID 136811550) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is N'-hydroxy-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]pyridine-2-carboximidamide
PubChem CID136811550
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC NameN'-hydroxy-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]pyridine-2-carboximidamide
SMILESCc1cnc(CNCc2ccnc(/C(N)=N/O)c2)o1
InChIInChI=1S/C12H15N5O2/c1-8-5-16-11(19-8)7-14-6-9-2-3-15-10(4-9)12(13)17-18/h2-5,14,18H,6-7H2,1H3,(H2,13,17)
InChIKeyWFCRBBLCOOIVMM-UHFFFAOYSA-N
XLogP0.76
TPSA109.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'-hydroxy-2-methoxy-5-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]benzenecarboximidamide
CID 106372791
4-[(furan-3-ylmethylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136960720
N'-hydroxy-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]ethanimidamide
CID 106372811
3-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]-2,2-dimethylpropanamide
CID 136843222
N'-hydroxy-4-[(octylamino)methyl]pyridine-2-carboximidamide
CID 136920360
N'-hydroxy-4-[[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]methyl]pyridine-2-carboximidamide
CID 136805792
N'-hydroxy-4-[[(1-propylcyclopropyl)methylamino]methyl]pyridine-2-carboximidamide
CID 136711900
N-tert-butyl-2-[[2-[(Z)-N'-hydroxycarbamimidoyl]-4-pyridinyl]methylamino]acetamide
CID 136965485
N'-hydroxy-4-[(5-methylsulfanylpentylamino)methyl]pyridine-2-carboximidamide
CID 136896845
4-[(2-ethoxypropylamino)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136930444
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenylmethanamine
CID 103738795
1-(furan-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275486

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]pyridine-2-carboximidamide (CID 136811550) is N'-hydroxy-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]pyridine-2-carboximidamide is Cc1cnc(CNCc2ccnc(/C(N)=N/O)c2)o1.
What is the InChIKey of N'-hydroxy-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]pyridine-2-carboximidamide?
The InChIKey is WFCRBBLCOOIVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-8-5-16-11(19-8)7-14-6-9-2-3-15-10(4-9)12(13)17-18/h2-5,14,18H,6-7H2,1H3,(H2,13,17).
What are the key properties of N'-hydroxy-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]pyridine-2-carboximidamide?
N'-hydroxy-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]pyridine-2-carboximidamide has a molecular weight of 261.29 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[[(5-methyl-1,3-oxazol-2-yl)methylamino]methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 136811550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).