N-(cyclopropylmethyl)-6-(2,4-dimethylphenoxy)-N'-hydroxy-N-propylpyridine-3-carboximidamide

C21H27N3O2 — CID 56679317

IUPACN-(cyclopropylmethyl)-6-(2,4-dimethylphenoxy)-N'-hydroxy-N-propylpyridine-3-carboximidamide
SMILESCCCN(CC1CC1)/C(=N\O)c1ccc(Oc2ccc(C)cc2C)nc1
InChIInChI=1S/C21H27N3O2/c1-4-11-24(14-17-6-7-17)21(23-25)18-8-10-20(22-13-18)26-19-9-5-15(2)12-16(19)3/h5,8-10,12-13,17,25H,4,6-7,11,14H2,1-3H3/b23-21-
InChIKeyFYSXUCRUNMUYQR-LNVKXUELSA-N
MW353.47 g/mol
LogP4.75
Rot. Bonds7

About N-(cyclopropylmethyl)-6-(2,4-dimethylphenoxy)-N'-hydroxy-N-propylpyridine-3-carboximidamide

N-(cyclopropylmethyl)-6-(2,4-dimethylphenoxy)-N'-hydroxy-N-propylpyridine-3-carboximidamide (PubChem CID 56679317) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-(2,4-dimethylphenoxy)-N'-hydroxy-N-propylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-(2,4-dimethylphenoxy)-N'-hydroxy-N-propylpyridine-3-carboximidamide
PubChem CID56679317
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-(cyclopropylmethyl)-6-(2,4-dimethylphenoxy)-N'-hydroxy-N-propylpyridine-3-carboximidamide
SMILESCCCN(CC1CC1)/C(=N\O)c1ccc(Oc2ccc(C)cc2C)nc1
InChIInChI=1S/C21H27N3O2/c1-4-11-24(14-17-6-7-17)21(23-25)18-8-10-20(22-13-18)26-19-9-5-15(2)12-16(19)3/h5,8-10,12-13,17,25H,4,6-7,11,14H2,1-3H3/b23-21-
InChIKeyFYSXUCRUNMUYQR-LNVKXUELSA-N
XLogP4.75
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.75
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'}

Analyze N-(cyclopropylmethyl)-6-(2,4-dimethylphenoxy)-N'-hydroxy-N-propylpyridine-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclopropylmethyl)-N'-hydroxy-6-naphthalen-2-yloxy-N-propylpyridine-3-carboximidamide
CID 56669279
(NZ)-N-[[6-(2,4-dimethylphenoxy)-3-pyridinyl]-piperidin-1-ylmethylidene]hydroxylamine
CID 56679502
N-(cyclopropylmethyl)-5-(N'-hydroxycarbamimidoyl)-N-propylpyridine-2-carboxamide
CID 77005162
5-(bromomethyl)-2-(2,4-dimethylphenoxy)pyridine
CID 107086693
N-[6-(2,4-dimethylphenoxy)-3-pyridinyl]hexanamide
CID 42691192
1-[6-(2,4-dimethylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 55058595
N-(cyclopropylmethyl)-2-(3-fluorophenoxy)-N'-hydroxy-6-methyl-N-propylpyridine-3-carboximidamide
CID 56658990
6-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 43364410
N-(cyclopropylmethyl)-N'-hydroxy-6-methyl-2-[(4-propan-2-ylphenyl)methoxy]-N-propylpyridine-3-carboximidamide
CID 56682266
N-[cyclopropylmethyl(propyl)carbamothioyl]-4-methylbenzamide
CID 3816997
N-(cyclopropylmethyl)-2-hydrazinyl-5-methyl-N-propylbenzamide
CID 62511311
2-(2-acetamido-5-acetylphenoxy)-N-(cyclopropylmethyl)-N-propylacetamide
CID 24534041

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-(2,4-dimethylphenoxy)-N'-hydroxy-N-propylpyridine-3-carboximidamide?
The IUPAC name of N-(cyclopropylmethyl)-6-(2,4-dimethylphenoxy)-N'-hydroxy-N-propylpyridine-3-carboximidamide (CID 56679317) is N-(cyclopropylmethyl)-6-(2,4-dimethylphenoxy)-N'-hydroxy-N-propylpyridine-3-carboximidamide.
What is the SMILES notation for N-(cyclopropylmethyl)-6-(2,4-dimethylphenoxy)-N'-hydroxy-N-propylpyridine-3-carboximidamide?
The canonical SMILES for N-(cyclopropylmethyl)-6-(2,4-dimethylphenoxy)-N'-hydroxy-N-propylpyridine-3-carboximidamide is CCCN(CC1CC1)/C(=N\O)c1ccc(Oc2ccc(C)cc2C)nc1.
What is the InChIKey of N-(cyclopropylmethyl)-6-(2,4-dimethylphenoxy)-N'-hydroxy-N-propylpyridine-3-carboximidamide?
The InChIKey is FYSXUCRUNMUYQR-LNVKXUELSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-4-11-24(14-17-6-7-17)21(23-25)18-8-10-20(22-13-18)26-19-9-5-15(2)12-16(19)3/h5,8-10,12-13,17,25H,4,6-7,11,14H2,1-3H3/b23-21-.
What are the key properties of N-(cyclopropylmethyl)-6-(2,4-dimethylphenoxy)-N'-hydroxy-N-propylpyridine-3-carboximidamide?
N-(cyclopropylmethyl)-6-(2,4-dimethylphenoxy)-N'-hydroxy-N-propylpyridine-3-carboximidamide has a molecular weight of 353.47 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-(2,4-dimethylphenoxy)-N'-hydroxy-N-propylpyridine-3-carboximidamide is sourced from PubChem (CID 56679317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).