[5-chloro-4-(dimethylamino)-2-(methoxymethoxy)phenyl]-[3-(methoxymethoxy)-2-pyridinyl]methanone

C18H21ClN2O5 — CID 19701623

IUPAC[5-chloro-4-(dimethylamino)-2-(methoxymethoxy)phenyl]-[3-(methoxymethoxy)-2-pyridinyl]methanone
SMILESCOCOc1cc(N(C)C)c(Cl)cc1C(=O)c1ncccc1OCOC
InChIInChI=1S/C18H21ClN2O5/c1-21(2)14-9-16(26-11-24-4)12(8-13(14)19)18(22)17-15(25-10-23-3)6-5-7-20-17/h5-9H,10-11H2,1-4H3
InChIKeyVHPIPPANZHIOCW-UHFFFAOYSA-N
MW380.83 g/mol
LogP3.00
Rot. Bonds9

About [5-chloro-4-(dimethylamino)-2-(methoxymethoxy)phenyl]-[3-(methoxymethoxy)-2-pyridinyl]methanone

[5-chloro-4-(dimethylamino)-2-(methoxymethoxy)phenyl]-[3-(methoxymethoxy)-2-pyridinyl]methanone (PubChem CID 19701623) has the molecular formula C18H21ClN2O5 and a molecular weight of 380.83 g/mol. Its IUPAC name is [5-chloro-4-(dimethylamino)-2-(methoxymethoxy)phenyl]-[3-(methoxymethoxy)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[5-chloro-4-(dimethylamino)-2-(methoxymethoxy)phenyl]-[3-(methoxymethoxy)-2-pyridinyl]methanone
PubChem CID19701623
Molecular FormulaC18H21ClN2O5
Molecular Weight380.83 g/mol
Exact Mass380.11
IUPAC Name[5-chloro-4-(dimethylamino)-2-(methoxymethoxy)phenyl]-[3-(methoxymethoxy)-2-pyridinyl]methanone
SMILESCOCOc1cc(N(C)C)c(Cl)cc1C(=O)c1ncccc1OCOC
InChIInChI=1S/C18H21ClN2O5/c1-21(2)14-9-16(26-11-24-4)12(8-13(14)19)18(22)17-15(25-10-23-3)6-5-7-20-17/h5-9H,10-11H2,1-4H3
InChIKeyVHPIPPANZHIOCW-UHFFFAOYSA-N
XLogP3.00
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3-chloro-2-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 103443277
(3-chloro-2-pyridinyl)-(2-methoxy-5-methylphenyl)methanone
CID 103443137
(5-bromo-2-chlorophenyl)-(3-methoxy-2-pyridinyl)methanone
CID 114054374
2-chloro-3-(methoxymethoxy)pyridine
CID 57430080
methyl 5-chloro-2,4-bis(methoxymethoxy)benzoate
CID 57440512
(2-chlorophenyl)-(3-chloro-2-pyridinyl)methanone
CID 103443193
(3-fluoro-2-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659417
[3-(1,3-dioxolan-2-yl)-2-pyridinyl]-[2-(methoxymethoxy)-5-methylphenyl]methanone
CID 19701573
3-ethoxypyridine-2-carbonyl chloride
CID 142800977
methyl 2-chloro-6-(methoxymethoxy)benzoate
CID 139356689
1-(3-chloro-2-pyridinyl)propan-1-one
CID 67986834
(4-amino-2-ethylsulfinylpyrimidin-5-yl)-(3-methoxy-2-pyridinyl)methanone
CID 21070598

Frequently Asked Questions

What is the IUPAC name of [5-chloro-4-(dimethylamino)-2-(methoxymethoxy)phenyl]-[3-(methoxymethoxy)-2-pyridinyl]methanone?
The IUPAC name of [5-chloro-4-(dimethylamino)-2-(methoxymethoxy)phenyl]-[3-(methoxymethoxy)-2-pyridinyl]methanone (CID 19701623) is [5-chloro-4-(dimethylamino)-2-(methoxymethoxy)phenyl]-[3-(methoxymethoxy)-2-pyridinyl]methanone.
What is the SMILES notation for [5-chloro-4-(dimethylamino)-2-(methoxymethoxy)phenyl]-[3-(methoxymethoxy)-2-pyridinyl]methanone?
The canonical SMILES for [5-chloro-4-(dimethylamino)-2-(methoxymethoxy)phenyl]-[3-(methoxymethoxy)-2-pyridinyl]methanone is COCOc1cc(N(C)C)c(Cl)cc1C(=O)c1ncccc1OCOC.
What is the InChIKey of [5-chloro-4-(dimethylamino)-2-(methoxymethoxy)phenyl]-[3-(methoxymethoxy)-2-pyridinyl]methanone?
The InChIKey is VHPIPPANZHIOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O5/c1-21(2)14-9-16(26-11-24-4)12(8-13(14)19)18(22)17-15(25-10-23-3)6-5-7-20-17/h5-9H,10-11H2,1-4H3.
What are the key properties of [5-chloro-4-(dimethylamino)-2-(methoxymethoxy)phenyl]-[3-(methoxymethoxy)-2-pyridinyl]methanone?
[5-chloro-4-(dimethylamino)-2-(methoxymethoxy)phenyl]-[3-(methoxymethoxy)-2-pyridinyl]methanone has a molecular weight of 380.83 g/mol, XLogP of 3.00, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-4-(dimethylamino)-2-(methoxymethoxy)phenyl]-[3-(methoxymethoxy)-2-pyridinyl]methanone is sourced from PubChem (CID 19701623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).