N-(cyclopropylmethyl)-2-(3-fluorophenoxy)-N'-hydroxy-6-methyl-N-propylpyridine-3-carboximidamide

C20H24FN3O2 — CID 56658990

IUPACN-(cyclopropylmethyl)-2-(3-fluorophenoxy)-N'-hydroxy-6-methyl-N-propylpyridine-3-carboximidamide
SMILESCCCN(CC1CC1)/C(=N\O)c1ccc(C)nc1Oc1cccc(F)c1
InChIInChI=1S/C20H24FN3O2/c1-3-11-24(13-15-8-9-15)19(23-25)18-10-7-14(2)22-20(18)26-17-6-4-5-16(21)12-17/h4-7,10,12,15,25H,3,8-9,11,13H2,1-2H3/b23-19-
InChIKeyIZYMINPMORIRGM-NMWGTECJSA-N
MW357.43 g/mol
LogP4.58
Rot. Bonds7

About N-(cyclopropylmethyl)-2-(3-fluorophenoxy)-N'-hydroxy-6-methyl-N-propylpyridine-3-carboximidamide

N-(cyclopropylmethyl)-2-(3-fluorophenoxy)-N'-hydroxy-6-methyl-N-propylpyridine-3-carboximidamide (PubChem CID 56658990) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(3-fluorophenoxy)-N'-hydroxy-6-methyl-N-propylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(3-fluorophenoxy)-N'-hydroxy-6-methyl-N-propylpyridine-3-carboximidamide
PubChem CID56658990
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC NameN-(cyclopropylmethyl)-2-(3-fluorophenoxy)-N'-hydroxy-6-methyl-N-propylpyridine-3-carboximidamide
SMILESCCCN(CC1CC1)/C(=N\O)c1ccc(C)nc1Oc1cccc(F)c1
InChIInChI=1S/C20H24FN3O2/c1-3-11-24(13-15-8-9-15)19(23-25)18-10-7-14(2)22-20(18)26-17-6-4-5-16(21)12-17/h4-7,10,12,15,25H,3,8-9,11,13H2,1-2H3/b23-19-
InChIKeyIZYMINPMORIRGM-NMWGTECJSA-N
XLogP4.58
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 54.58
H-Bond Donors ≤ 51
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-fluorophenoxy)-N'-hydroxy-N,6-dimethyl-N-phenylpyridine-3-carboximidamide
CID 56675749
N-(cyclopropylmethyl)-N'-hydroxy-6-methyl-2-[(4-propan-2-ylphenyl)methoxy]-N-propylpyridine-3-carboximidamide
CID 56682266
N'-cyclopentyl-2-(3-fluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide
CID 56665012
N-(cyclopropylmethyl)-N'-hydroxy-6-naphthalen-2-yloxy-N-propylpyridine-3-carboximidamide
CID 56669279
N-(cyclopropylmethyl)-2-(3-fluorophenyl)-N-propylacetamide
CID 86976376
2-[cyclopropylmethyl(propyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916100
N'-(cyclopropylmethyl)-N-hydroxy-6-methyl-2-naphthalen-2-yloxypyridine-3-carboximidamide
CID 56682339
N-(cyclopropylmethyl)-6-(2,4-dimethylphenoxy)-N'-hydroxy-N-propylpyridine-3-carboximidamide
CID 56679317
2-bromo-N-(cyclopropylmethyl)-5-fluoro-N-propylbenzamide
CID 60669039
2-(3-ethoxyphenoxy)-6-methylpyridine-3-carboxylic acid
CID 62702428
2-(3,5-difluorophenoxy)-6-methylpyridine-3-carboxylic acid
CID 62783634
(NZ)-N-[[2-[(3-fluorophenyl)methoxy]-6-methyl-3-pyridinyl]-(4-methylpiperidin-1-yl)methylidene]hydroxylamine
CID 56679498

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(3-fluorophenoxy)-N'-hydroxy-6-methyl-N-propylpyridine-3-carboximidamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(3-fluorophenoxy)-N'-hydroxy-6-methyl-N-propylpyridine-3-carboximidamide (CID 56658990) is N-(cyclopropylmethyl)-2-(3-fluorophenoxy)-N'-hydroxy-6-methyl-N-propylpyridine-3-carboximidamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(3-fluorophenoxy)-N'-hydroxy-6-methyl-N-propylpyridine-3-carboximidamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(3-fluorophenoxy)-N'-hydroxy-6-methyl-N-propylpyridine-3-carboximidamide is CCCN(CC1CC1)/C(=N\O)c1ccc(C)nc1Oc1cccc(F)c1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(3-fluorophenoxy)-N'-hydroxy-6-methyl-N-propylpyridine-3-carboximidamide?
The InChIKey is IZYMINPMORIRGM-NMWGTECJSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-3-11-24(13-15-8-9-15)19(23-25)18-10-7-14(2)22-20(18)26-17-6-4-5-16(21)12-17/h4-7,10,12,15,25H,3,8-9,11,13H2,1-2H3/b23-19-.
What are the key properties of N-(cyclopropylmethyl)-2-(3-fluorophenoxy)-N'-hydroxy-6-methyl-N-propylpyridine-3-carboximidamide?
N-(cyclopropylmethyl)-2-(3-fluorophenoxy)-N'-hydroxy-6-methyl-N-propylpyridine-3-carboximidamide has a molecular weight of 357.43 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(3-fluorophenoxy)-N'-hydroxy-6-methyl-N-propylpyridine-3-carboximidamide is sourced from PubChem (CID 56658990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).