2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methoxyiminomethyl]-4-methoxypyridine-3-carboxamide

C21H17Cl2N3O4 — CID 135470101

IUPAC2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methoxyiminomethyl]-4-methoxypyridine-3-carboxamide
SMILESCOc1ccnc(Oc2ccc(Cl)cc2)c1C(=O)NC=NOCc1ccc(Cl)cc1
InChIInChI=1S/C21H17Cl2N3O4/c1-28-18-10-11-24-21(30-17-8-6-16(23)7-9-17)19(18)20(27)25-13-26-29-12-14-2-4-15(22)5-3-14/h2-11,13H,12H2,1H3,(H,25,26,27)
InChIKeyRGMDWTYXYYNUNN-UHFFFAOYSA-N
MW446.29 g/mol
LogP5.08
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methoxyiminomethyl]-4-methoxypyridine-3-carboxamide

2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methoxyiminomethyl]-4-methoxypyridine-3-carboxamide (PubChem CID 135470101) has the molecular formula C21H17Cl2N3O4 and a molecular weight of 446.29 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methoxyiminomethyl]-4-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methoxyiminomethyl]-4-methoxypyridine-3-carboxamide
PubChem CID135470101
Molecular FormulaC21H17Cl2N3O4
Molecular Weight446.29 g/mol
Exact Mass445.06
IUPAC Name2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methoxyiminomethyl]-4-methoxypyridine-3-carboxamide
SMILESCOc1ccnc(Oc2ccc(Cl)cc2)c1C(=O)NC=NOCc1ccc(Cl)cc1
InChIInChI=1S/C21H17Cl2N3O4/c1-28-18-10-11-24-21(30-17-8-6-16(23)7-9-17)19(18)20(27)25-13-26-29-12-14-2-4-15(22)5-3-14/h2-11,13H,12H2,1H3,(H,25,26,27)
InChIKeyRGMDWTYXYYNUNN-UHFFFAOYSA-N
XLogP5.08
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.29
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methoxyiminomethyl]-4-methoxypyridine-3-carboxamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methoxyiminomethyl]-4-methoxypyridine-3-carboxamide (CID 135470101) is 2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methoxyiminomethyl]-4-methoxypyridine-3-carboxamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methoxyiminomethyl]-4-methoxypyridine-3-carboxamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methoxyiminomethyl]-4-methoxypyridine-3-carboxamide is COc1ccnc(Oc2ccc(Cl)cc2)c1C(=O)NC=NOCc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methoxyiminomethyl]-4-methoxypyridine-3-carboxamide?
The InChIKey is RGMDWTYXYYNUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N3O4/c1-28-18-10-11-24-21(30-17-8-6-16(23)7-9-17)19(18)20(27)25-13-26-29-12-14-2-4-15(22)5-3-14/h2-11,13H,12H2,1H3,(H,25,26,27).
What are the key properties of 2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methoxyiminomethyl]-4-methoxypyridine-3-carboxamide?
2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methoxyiminomethyl]-4-methoxypyridine-3-carboxamide has a molecular weight of 446.29 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(4-chlorophenyl)methoxyiminomethyl]-4-methoxypyridine-3-carboxamide is sourced from PubChem (CID 135470101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).