N'-[(6-chloro-5-methyl-2-pyridinyl)methoxy]-2-(oxolan-2-ylmethoxy)ethanimidamide

C14H20ClN3O3 — CID 167942523

IUPACN'-[(6-chloro-5-methyl-2-pyridinyl)methoxy]-2-(oxolan-2-ylmethoxy)ethanimidamide
SMILESCc1ccc(CO/N=C(\N)COCC2CCCO2)nc1Cl
InChIInChI=1S/C14H20ClN3O3/c1-10-4-5-11(17-14(10)15)7-21-18-13(16)9-19-8-12-3-2-6-20-12/h4-5,12H,2-3,6-9H2,1H3,(H2,16,18)
InChIKeyDFGXATGNPWRUEX-UHFFFAOYSA-N
MW313.79 g/mol
LogP2.03
Rot. Bonds7

About N'-[(6-chloro-5-methyl-2-pyridinyl)methoxy]-2-(oxolan-2-ylmethoxy)ethanimidamide

N'-[(6-chloro-5-methyl-2-pyridinyl)methoxy]-2-(oxolan-2-ylmethoxy)ethanimidamide (PubChem CID 167942523) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.79 g/mol. Its IUPAC name is N'-[(6-chloro-5-methyl-2-pyridinyl)methoxy]-2-(oxolan-2-ylmethoxy)ethanimidamide.

Molecular Properties

Compound NameN'-[(6-chloro-5-methyl-2-pyridinyl)methoxy]-2-(oxolan-2-ylmethoxy)ethanimidamide
PubChem CID167942523
Molecular FormulaC14H20ClN3O3
Molecular Weight313.79 g/mol
Exact Mass313.12
IUPAC NameN'-[(6-chloro-5-methyl-2-pyridinyl)methoxy]-2-(oxolan-2-ylmethoxy)ethanimidamide
SMILESCc1ccc(CO/N=C(\N)COCC2CCCO2)nc1Cl
InChIInChI=1S/C14H20ClN3O3/c1-10-4-5-11(17-14(10)15)7-21-18-13(16)9-19-8-12-3-2-6-20-12/h4-5,12H,2-3,6-9H2,1H3,(H2,16,18)
InChIKeyDFGXATGNPWRUEX-UHFFFAOYSA-N
XLogP2.03
TPSA78.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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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Related Compounds

2-chloro-6-(oxolan-2-ylmethoxymethyl)pyridine
CID 79240930
1-(3,4-dichlorophenyl)-2-(oxolan-2-ylmethoxy)ethanone
CID 43798272
ethyl 2-[[(2R)-oxolan-2-yl]methoxy]acetate
CID 28940137
1-(oxolan-2-ylmethoxy)propan-2-one
CID 43798300
3-chloro-4,5-dimethyl-6-(oxolan-2-ylmethoxy)pyridazine
CID 63271996
[4-(oxolan-2-ylmethoxymethyl)-1,3-thiazol-2-yl]methanamine
CID 62443830
N-(3-amino-4-methylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 43376615
[(2S)-oxolan-2-yl]methoxymethanamine
CID 126553312
5-(oxolan-2-ylmethoxymethyl)-1,2-oxazole-3-carbohydrazide
CID 55213200
1-(3,4-dimethylphenyl)-2-[2-(oxolan-2-ylmethoxy)ethyl]guanidine
CID 111801830
2-[1-[(4-chlorophenyl)methyl]-5-[[(2S)-oxolan-2-yl]methoxymethyl]-1,2,4-triazol-3-yl]acetamide
CID 97454003
2-chloro-5-(oxolan-2-ylmethoxymethyl)-1,3-thiazole
CID 79764859

Frequently Asked Questions

What is the IUPAC name of N'-[(6-chloro-5-methyl-2-pyridinyl)methoxy]-2-(oxolan-2-ylmethoxy)ethanimidamide?
The IUPAC name of N'-[(6-chloro-5-methyl-2-pyridinyl)methoxy]-2-(oxolan-2-ylmethoxy)ethanimidamide (CID 167942523) is N'-[(6-chloro-5-methyl-2-pyridinyl)methoxy]-2-(oxolan-2-ylmethoxy)ethanimidamide.
What is the SMILES notation for N'-[(6-chloro-5-methyl-2-pyridinyl)methoxy]-2-(oxolan-2-ylmethoxy)ethanimidamide?
The canonical SMILES for N'-[(6-chloro-5-methyl-2-pyridinyl)methoxy]-2-(oxolan-2-ylmethoxy)ethanimidamide is Cc1ccc(CO/N=C(\N)COCC2CCCO2)nc1Cl.
What is the InChIKey of N'-[(6-chloro-5-methyl-2-pyridinyl)methoxy]-2-(oxolan-2-ylmethoxy)ethanimidamide?
The InChIKey is DFGXATGNPWRUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3/c1-10-4-5-11(17-14(10)15)7-21-18-13(16)9-19-8-12-3-2-6-20-12/h4-5,12H,2-3,6-9H2,1H3,(H2,16,18).
What are the key properties of N'-[(6-chloro-5-methyl-2-pyridinyl)methoxy]-2-(oxolan-2-ylmethoxy)ethanimidamide?
N'-[(6-chloro-5-methyl-2-pyridinyl)methoxy]-2-(oxolan-2-ylmethoxy)ethanimidamide has a molecular weight of 313.79 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(6-chloro-5-methyl-2-pyridinyl)methoxy]-2-(oxolan-2-ylmethoxy)ethanimidamide is sourced from PubChem (CID 167942523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).