N'-hydroxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]propanimidamide

C13H22N4O2 — CID 76928126

IUPACN'-hydroxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]propanimidamide
SMILESCOc1c(C)cnc(CN(C)C(C)C(N)=NO)c1C
InChIInChI=1S/C13H22N4O2/c1-8-6-15-11(9(2)12(8)19-5)7-17(4)10(3)13(14)16-18/h6,10,18H,7H2,1-5H3,(H2,14,16)
InChIKeyDNCVDDNSHSOMPE-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.27
Rot. Bonds5

About N'-hydroxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]propanimidamide

N'-hydroxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]propanimidamide (PubChem CID 76928126) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N'-hydroxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]propanimidamide
PubChem CID76928126
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN'-hydroxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]propanimidamide
SMILESCOc1c(C)cnc(CN(C)C(C)C(N)=NO)c1C
InChIInChI=1S/C13H22N4O2/c1-8-6-15-11(9(2)12(8)19-5)7-17(4)10(3)13(14)16-18/h6,10,18H,7H2,1-5H3,(H2,14,16)
InChIKeyDNCVDDNSHSOMPE-UHFFFAOYSA-N
XLogP1.27
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze N'-hydroxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]propanimidamide with MolForge

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Related Compounds

3-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-N-methylbutane-1,3-diamine
CID 63225867
N'-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N',2-dimethylpropane-1,3-diamine
CID 54991612
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-2-methylpropanoic acid
CID 55007839
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid
CID 63065383
(2R)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2-dimethylpentanamide
CID 95316113
(2S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2-dimethylpentanamide
CID 95316114
4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-propan-2-ylamino]butanoic acid
CID 60833618
1-[2-[bis[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]amino]ethylamino]ethanol
CID 102583756
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111087496
1-(aminomethyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohexan-1-amine
CID 62006915
2-amino-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)propan-1-ol
CID 64574563
2-[3-chloro-2-(chloromethyl)propyl]-4-methoxy-3,5-dimethylpyridine
CID 79447743

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]propanimidamide?
The IUPAC name of N'-hydroxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]propanimidamide (CID 76928126) is N'-hydroxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]propanimidamide is COc1c(C)cnc(CN(C)C(C)C(N)=NO)c1C.
What is the InChIKey of N'-hydroxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]propanimidamide?
The InChIKey is DNCVDDNSHSOMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-8-6-15-11(9(2)12(8)19-5)7-17(4)10(3)13(14)16-18/h6,10,18H,7H2,1-5H3,(H2,14,16).
What are the key properties of N'-hydroxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]propanimidamide?
N'-hydroxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]propanimidamide has a molecular weight of 266.34 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]propanimidamide is sourced from PubChem (CID 76928126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).