N-hydroxy-N'-(1-methoxypropan-2-yl)-2-(2-propan-2-yloxyphenoxy)pyridine-3-carboximidamide

C19H25N3O4 — CID 56658086

IUPACN-hydroxy-N'-(1-methoxypropan-2-yl)-2-(2-propan-2-yloxyphenoxy)pyridine-3-carboximidamide
SMILESCOCC(C)/N=C(\NO)c1cccnc1Oc1ccccc1OC(C)C
InChIInChI=1S/C19H25N3O4/c1-13(2)25-16-9-5-6-10-17(16)26-19-15(8-7-11-20-19)18(22-23)21-14(3)12-24-4/h5-11,13-14,23H,12H2,1-4H3,(H,21,22)
InChIKeyKSRZVDGKDJZJQH-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.42
Rot. Bonds8

About N-hydroxy-N'-(1-methoxypropan-2-yl)-2-(2-propan-2-yloxyphenoxy)pyridine-3-carboximidamide

N-hydroxy-N'-(1-methoxypropan-2-yl)-2-(2-propan-2-yloxyphenoxy)pyridine-3-carboximidamide (PubChem CID 56658086) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-hydroxy-N'-(1-methoxypropan-2-yl)-2-(2-propan-2-yloxyphenoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN-hydroxy-N'-(1-methoxypropan-2-yl)-2-(2-propan-2-yloxyphenoxy)pyridine-3-carboximidamide
PubChem CID56658086
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC NameN-hydroxy-N'-(1-methoxypropan-2-yl)-2-(2-propan-2-yloxyphenoxy)pyridine-3-carboximidamide
SMILESCOCC(C)/N=C(\NO)c1cccnc1Oc1ccccc1OC(C)C
InChIInChI=1S/C19H25N3O4/c1-13(2)25-16-9-5-6-10-17(16)26-19-15(8-7-11-20-19)18(22-23)21-14(3)12-24-4/h5-11,13-14,23H,12H2,1-4H3,(H,21,22)
InChIKeyKSRZVDGKDJZJQH-UHFFFAOYSA-N
XLogP3.42
TPSA85.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.42
H-Bond Donors ≤ 52
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-(1-methoxypropan-2-yl)-2-(2-propan-2-yloxyphenoxy)pyridine-3-carboximidamide?
The IUPAC name of N-hydroxy-N'-(1-methoxypropan-2-yl)-2-(2-propan-2-yloxyphenoxy)pyridine-3-carboximidamide (CID 56658086) is N-hydroxy-N'-(1-methoxypropan-2-yl)-2-(2-propan-2-yloxyphenoxy)pyridine-3-carboximidamide.
What is the SMILES notation for N-hydroxy-N'-(1-methoxypropan-2-yl)-2-(2-propan-2-yloxyphenoxy)pyridine-3-carboximidamide?
The canonical SMILES for N-hydroxy-N'-(1-methoxypropan-2-yl)-2-(2-propan-2-yloxyphenoxy)pyridine-3-carboximidamide is COCC(C)/N=C(\NO)c1cccnc1Oc1ccccc1OC(C)C.
What is the InChIKey of N-hydroxy-N'-(1-methoxypropan-2-yl)-2-(2-propan-2-yloxyphenoxy)pyridine-3-carboximidamide?
The InChIKey is KSRZVDGKDJZJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-13(2)25-16-9-5-6-10-17(16)26-19-15(8-7-11-20-19)18(22-23)21-14(3)12-24-4/h5-11,13-14,23H,12H2,1-4H3,(H,21,22).
What are the key properties of N-hydroxy-N'-(1-methoxypropan-2-yl)-2-(2-propan-2-yloxyphenoxy)pyridine-3-carboximidamide?
N-hydroxy-N'-(1-methoxypropan-2-yl)-2-(2-propan-2-yloxyphenoxy)pyridine-3-carboximidamide has a molecular weight of 359.43 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-(1-methoxypropan-2-yl)-2-(2-propan-2-yloxyphenoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 56658086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).