N'-(cyclopropylmethyl)-N-hydroxy-6-methyl-2-naphthalen-2-yloxypyridine-3-carboximidamide

C21H21N3O2 — CID 56682339

IUPACN'-(cyclopropylmethyl)-N-hydroxy-6-methyl-2-naphthalen-2-yloxypyridine-3-carboximidamide
SMILESCc1ccc(/C(=N/CC2CC2)NO)c(Oc2ccc3ccccc3c2)n1
InChIInChI=1S/C21H21N3O2/c1-14-6-11-19(20(24-25)22-13-15-7-8-15)21(23-14)26-18-10-9-16-4-2-3-5-17(16)12-18/h2-6,9-12,15,25H,7-8,13H2,1H3,(H,22,24)
InChIKeyAGVHMZNCIZRJOB-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.47
Rot. Bonds5

About N'-(cyclopropylmethyl)-N-hydroxy-6-methyl-2-naphthalen-2-yloxypyridine-3-carboximidamide

N'-(cyclopropylmethyl)-N-hydroxy-6-methyl-2-naphthalen-2-yloxypyridine-3-carboximidamide (PubChem CID 56682339) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-N-hydroxy-6-methyl-2-naphthalen-2-yloxypyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-N-hydroxy-6-methyl-2-naphthalen-2-yloxypyridine-3-carboximidamide
PubChem CID56682339
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN'-(cyclopropylmethyl)-N-hydroxy-6-methyl-2-naphthalen-2-yloxypyridine-3-carboximidamide
SMILESCc1ccc(/C(=N/CC2CC2)NO)c(Oc2ccc3ccccc3c2)n1
InChIInChI=1S/C21H21N3O2/c1-14-6-11-19(20(24-25)22-13-15-7-8-15)21(23-14)26-18-10-9-16-4-2-3-5-17(16)12-18/h2-6,9-12,15,25H,7-8,13H2,1H3,(H,22,24)
InChIKeyAGVHMZNCIZRJOB-UHFFFAOYSA-N
XLogP4.47
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.47
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'-(cyclopropylmethyl)-N-hydroxy-6-methyl-2-naphthalen-2-yloxypyridine-3-carboximidamide?
The IUPAC name of N'-(cyclopropylmethyl)-N-hydroxy-6-methyl-2-naphthalen-2-yloxypyridine-3-carboximidamide (CID 56682339) is N'-(cyclopropylmethyl)-N-hydroxy-6-methyl-2-naphthalen-2-yloxypyridine-3-carboximidamide.
What is the SMILES notation for N'-(cyclopropylmethyl)-N-hydroxy-6-methyl-2-naphthalen-2-yloxypyridine-3-carboximidamide?
The canonical SMILES for N'-(cyclopropylmethyl)-N-hydroxy-6-methyl-2-naphthalen-2-yloxypyridine-3-carboximidamide is Cc1ccc(/C(=N/CC2CC2)NO)c(Oc2ccc3ccccc3c2)n1.
What is the InChIKey of N'-(cyclopropylmethyl)-N-hydroxy-6-methyl-2-naphthalen-2-yloxypyridine-3-carboximidamide?
The InChIKey is AGVHMZNCIZRJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14-6-11-19(20(24-25)22-13-15-7-8-15)21(23-14)26-18-10-9-16-4-2-3-5-17(16)12-18/h2-6,9-12,15,25H,7-8,13H2,1H3,(H,22,24).
What are the key properties of N'-(cyclopropylmethyl)-N-hydroxy-6-methyl-2-naphthalen-2-yloxypyridine-3-carboximidamide?
N'-(cyclopropylmethyl)-N-hydroxy-6-methyl-2-naphthalen-2-yloxypyridine-3-carboximidamide has a molecular weight of 347.42 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylmethyl)-N-hydroxy-6-methyl-2-naphthalen-2-yloxypyridine-3-carboximidamide is sourced from PubChem (CID 56682339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).