5-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-2-carboximidamide

C11H18N4O2 — CID 113321215

IUPAC5-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)CC(O)COC)cn1
InChIInChI=1S/C11H18N4O2/c1-15(6-9(16)7-17-2)8-3-4-10(11(12)13)14-5-8/h3-5,9,16H,6-7H2,1-2H3,(H3,12,13)
InChIKeyWXAASURTAOKHGP-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.19
Rot. Bonds6

About 5-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-2-carboximidamide

5-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-2-carboximidamide (PubChem CID 113321215) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-2-carboximidamide.

Molecular Properties

Compound Name5-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-2-carboximidamide
PubChem CID113321215
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)CC(O)COC)cn1
InChIInChI=1S/C11H18N4O2/c1-15(6-9(16)7-17-2)8-3-4-10(11(12)13)14-5-8/h3-5,9,16H,6-7H2,1-2H3,(H3,12,13)
InChIKeyWXAASURTAOKHGP-UHFFFAOYSA-N
XLogP-0.19
TPSA95.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[(2-hydroxy-3-methoxypropyl)-methylamino]-2-methylbenzenecarboximidamide
CID 81279443
1-[[6-[(1R)-1-aminoethyl]-3-pyridinyl]-methylamino]-3-methoxypropan-2-ol
CID 83121930
5-[butan-2-yl(2-methoxyethyl)amino]pyridine-2-carboximidamide
CID 115489592
5-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboximidamide
CID 115489551
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-4-methylbenzenecarboximidamide
CID 55056725
1-[[6-[1-(ethylamino)ethyl]-3-pyridinyl]-methylamino]-3-methoxypropan-2-ol
CID 83121929
5-[2-methylpropyl(pentan-3-yl)amino]pyridine-2-carboximidamide
CID 115489703
1-methoxy-3-(4-methoxy-N-methylanilino)propan-2-ol
CID 3725441
5-methoxypyridine-2-carboximidamide;hydrochloride
CID 53484941
1-(4-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol
CID 63676060
5-[methyl(oxan-2-ylmethyl)amino]pyridine-2-carboximidamide
CID 113321204
5-(N-ethyl-4-methylanilino)pyridine-2-carboximidamide
CID 115489614

Frequently Asked Questions

What is the IUPAC name of 5-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-2-carboximidamide?
The IUPAC name of 5-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-2-carboximidamide (CID 113321215) is 5-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-2-carboximidamide.
What is the SMILES notation for 5-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-2-carboximidamide?
The canonical SMILES for 5-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-2-carboximidamide is [H]/N=C(\N)c1ccc(N(C)CC(O)COC)cn1.
What is the InChIKey of 5-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-2-carboximidamide?
The InChIKey is WXAASURTAOKHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-15(6-9(16)7-17-2)8-3-4-10(11(12)13)14-5-8/h3-5,9,16H,6-7H2,1-2H3,(H3,12,13).
What are the key properties of 5-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-2-carboximidamide?
5-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-2-carboximidamide has a molecular weight of 238.29 g/mol, XLogP of -0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-2-carboximidamide is sourced from PubChem (CID 113321215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).