N-hydroxy-6-methyl-2-[(2-methylphenyl)methoxy]-N'-propylpyridine-3-carboximidamide

C18H23N3O2 — CID 56668573

IUPACN-hydroxy-6-methyl-2-[(2-methylphenyl)methoxy]-N'-propylpyridine-3-carboximidamide
SMILESCCC/N=C(\NO)c1ccc(C)nc1OCc1ccccc1C
InChIInChI=1S/C18H23N3O2/c1-4-11-19-17(21-22)16-10-9-14(3)20-18(16)23-12-15-8-6-5-7-13(15)2/h5-10,22H,4,11-12H2,1-3H3,(H,19,21)
InChIKeyRTCHAJBTDGVEHE-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.41
Rot. Bonds6

About N-hydroxy-6-methyl-2-[(2-methylphenyl)methoxy]-N'-propylpyridine-3-carboximidamide

N-hydroxy-6-methyl-2-[(2-methylphenyl)methoxy]-N'-propylpyridine-3-carboximidamide (PubChem CID 56668573) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-hydroxy-6-methyl-2-[(2-methylphenyl)methoxy]-N'-propylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN-hydroxy-6-methyl-2-[(2-methylphenyl)methoxy]-N'-propylpyridine-3-carboximidamide
PubChem CID56668573
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-hydroxy-6-methyl-2-[(2-methylphenyl)methoxy]-N'-propylpyridine-3-carboximidamide
SMILESCCC/N=C(\NO)c1ccc(C)nc1OCc1ccccc1C
InChIInChI=1S/C18H23N3O2/c1-4-11-19-17(21-22)16-10-9-14(3)20-18(16)23-12-15-8-6-5-7-13(15)2/h5-10,22H,4,11-12H2,1-3H3,(H,19,21)
InChIKeyRTCHAJBTDGVEHE-UHFFFAOYSA-N
XLogP3.41
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-methyl-2-[(2-methylphenyl)methoxy]-N'-propylpyridine-3-carboximidamide?
The IUPAC name of N-hydroxy-6-methyl-2-[(2-methylphenyl)methoxy]-N'-propylpyridine-3-carboximidamide (CID 56668573) is N-hydroxy-6-methyl-2-[(2-methylphenyl)methoxy]-N'-propylpyridine-3-carboximidamide.
What is the SMILES notation for N-hydroxy-6-methyl-2-[(2-methylphenyl)methoxy]-N'-propylpyridine-3-carboximidamide?
The canonical SMILES for N-hydroxy-6-methyl-2-[(2-methylphenyl)methoxy]-N'-propylpyridine-3-carboximidamide is CCC/N=C(\NO)c1ccc(C)nc1OCc1ccccc1C.
What is the InChIKey of N-hydroxy-6-methyl-2-[(2-methylphenyl)methoxy]-N'-propylpyridine-3-carboximidamide?
The InChIKey is RTCHAJBTDGVEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-4-11-19-17(21-22)16-10-9-14(3)20-18(16)23-12-15-8-6-5-7-13(15)2/h5-10,22H,4,11-12H2,1-3H3,(H,19,21).
What are the key properties of N-hydroxy-6-methyl-2-[(2-methylphenyl)methoxy]-N'-propylpyridine-3-carboximidamide?
N-hydroxy-6-methyl-2-[(2-methylphenyl)methoxy]-N'-propylpyridine-3-carboximidamide has a molecular weight of 313.40 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-methyl-2-[(2-methylphenyl)methoxy]-N'-propylpyridine-3-carboximidamide is sourced from PubChem (CID 56668573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).