N-(cyclopropylmethyl)-N'-hydroxy-6-methyl-2-[(4-propan-2-ylphenyl)methoxy]-N-propylpyridine-3-carboximidamide

C24H33N3O2 — CID 56682266

IUPACN-(cyclopropylmethyl)-N'-hydroxy-6-methyl-2-[(4-propan-2-ylphenyl)methoxy]-N-propylpyridine-3-carboximidamide
SMILESCCCN(CC1CC1)/C(=N\O)c1ccc(C)nc1OCc1ccc(C(C)C)cc1
InChIInChI=1S/C24H33N3O2/c1-5-14-27(15-19-7-8-19)23(26-28)22-13-6-18(4)25-24(22)29-16-20-9-11-21(12-10-20)17(2)3/h6,9-13,17,19,28H,5,7-8,14-16H2,1-4H3/b26-23-
InChIKeyCOMFNPMKTLZZBT-RWEWTDSWSA-N
MW395.55 g/mol
LogP5.35
Rot. Bonds9

About N-(cyclopropylmethyl)-N'-hydroxy-6-methyl-2-[(4-propan-2-ylphenyl)methoxy]-N-propylpyridine-3-carboximidamide

N-(cyclopropylmethyl)-N'-hydroxy-6-methyl-2-[(4-propan-2-ylphenyl)methoxy]-N-propylpyridine-3-carboximidamide (PubChem CID 56682266) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N'-hydroxy-6-methyl-2-[(4-propan-2-ylphenyl)methoxy]-N-propylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N'-hydroxy-6-methyl-2-[(4-propan-2-ylphenyl)methoxy]-N-propylpyridine-3-carboximidamide
PubChem CID56682266
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC NameN-(cyclopropylmethyl)-N'-hydroxy-6-methyl-2-[(4-propan-2-ylphenyl)methoxy]-N-propylpyridine-3-carboximidamide
SMILESCCCN(CC1CC1)/C(=N\O)c1ccc(C)nc1OCc1ccc(C(C)C)cc1
InChIInChI=1S/C24H33N3O2/c1-5-14-27(15-19-7-8-19)23(26-28)22-13-6-18(4)25-24(22)29-16-20-9-11-21(12-10-20)17(2)3/h6,9-13,17,19,28H,5,7-8,14-16H2,1-4H3/b26-23-
InChIKeyCOMFNPMKTLZZBT-RWEWTDSWSA-N
XLogP5.35
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 55.35
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

N-(cyclopropylmethyl)-2-(3-fluorophenoxy)-N'-hydroxy-6-methyl-N-propylpyridine-3-carboximidamide
CID 56658990
2-[cyclopropylmethyl(propyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916100
N-(cyclopropylmethyl)-6-(2,4-dimethylphenoxy)-N'-hydroxy-N-propylpyridine-3-carboximidamide
CID 56679317
2-[(4-bromophenyl)methoxy]-6-methylpyridine-3-carboxylic acid
CID 82825592
(NZ)-N-[[2-[(3-fluorophenyl)methoxy]-6-methyl-3-pyridinyl]-(4-methylpiperidin-1-yl)methylidene]hydroxylamine
CID 56679498
3-(4-aminophenyl)-N-(cyclopropylmethyl)-N-propylbutanamide
CID 104502211
ethyl N-(cyclopropylmethyl)-N-propylcarbamate
CID 60637808
N-(cyclopropylmethyl)-2-(3,4-dichlorophenyl)-N-propylacetamide
CID 78786076
N-(cyclopropylmethyl)-4-propan-2-yl-N-propylbenzenesulfonamide
CID 55353366
1-(4-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanol
CID 55055537
2-[cyclopropylmethyl(methyl)amino]-1-(4-propan-2-ylphenyl)ethanol
CID 54949329
1-(2-bromo-4-propan-2-ylphenyl)-N-(cyclopropylmethyl)-6-methyl-N-propyl-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxamide
CID 142157128

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N'-hydroxy-6-methyl-2-[(4-propan-2-ylphenyl)methoxy]-N-propylpyridine-3-carboximidamide?
The IUPAC name of N-(cyclopropylmethyl)-N'-hydroxy-6-methyl-2-[(4-propan-2-ylphenyl)methoxy]-N-propylpyridine-3-carboximidamide (CID 56682266) is N-(cyclopropylmethyl)-N'-hydroxy-6-methyl-2-[(4-propan-2-ylphenyl)methoxy]-N-propylpyridine-3-carboximidamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N'-hydroxy-6-methyl-2-[(4-propan-2-ylphenyl)methoxy]-N-propylpyridine-3-carboximidamide?
The canonical SMILES for N-(cyclopropylmethyl)-N'-hydroxy-6-methyl-2-[(4-propan-2-ylphenyl)methoxy]-N-propylpyridine-3-carboximidamide is CCCN(CC1CC1)/C(=N\O)c1ccc(C)nc1OCc1ccc(C(C)C)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-N'-hydroxy-6-methyl-2-[(4-propan-2-ylphenyl)methoxy]-N-propylpyridine-3-carboximidamide?
The InChIKey is COMFNPMKTLZZBT-RWEWTDSWSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-5-14-27(15-19-7-8-19)23(26-28)22-13-6-18(4)25-24(22)29-16-20-9-11-21(12-10-20)17(2)3/h6,9-13,17,19,28H,5,7-8,14-16H2,1-4H3/b26-23-.
What are the key properties of N-(cyclopropylmethyl)-N'-hydroxy-6-methyl-2-[(4-propan-2-ylphenyl)methoxy]-N-propylpyridine-3-carboximidamide?
N-(cyclopropylmethyl)-N'-hydroxy-6-methyl-2-[(4-propan-2-ylphenyl)methoxy]-N-propylpyridine-3-carboximidamide has a molecular weight of 395.55 g/mol, XLogP of 5.35, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N'-hydroxy-6-methyl-2-[(4-propan-2-ylphenyl)methoxy]-N-propylpyridine-3-carboximidamide is sourced from PubChem (CID 56682266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).