4-methoxy-N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]benzamide

C22H23N3O4 — CID 113014697

IUPAC4-methoxy-N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]benzamide
SMILESCOc1ccc(OCCNc2ccc(NC(=O)c3ccc(OC)cc3)cn2)cc1
InChIInChI=1S/C22H23N3O4/c1-27-18-6-3-16(4-7-18)22(26)25-17-5-12-21(24-15-17)23-13-14-29-20-10-8-19(28-2)9-11-20/h3-12,15H,13-14H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyVHPIMOURGIFUFM-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.84
Rot. Bonds9

About 4-methoxy-N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]benzamide

4-methoxy-N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]benzamide (PubChem CID 113014697) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 4-methoxy-N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]benzamide
PubChem CID113014697
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name4-methoxy-N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]benzamide
SMILESCOc1ccc(OCCNc2ccc(NC(=O)c3ccc(OC)cc3)cn2)cc1
InChIInChI=1S/C22H23N3O4/c1-27-18-6-3-16(4-7-18)22(26)25-17-5-12-21(24-15-17)23-13-14-29-20-10-8-19(28-2)9-11-20/h3-12,15H,13-14H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyVHPIMOURGIFUFM-UHFFFAOYSA-N
XLogP3.84
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-phenylurea
CID 113014714
1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-propan-2-ylurea
CID 113014721
6-[2-(4-methoxyphenoxy)ethylamino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109160906
4-tert-butyl-N-[6-(3-methoxypropylamino)-3-pyridinyl]benzamide
CID 113010472
N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-2-phenoxyacetamide
CID 113014703
6-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyridine-3-carboxamide
CID 109151337
N-(2-fluorophenyl)-6-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
CID 109160901
N-[6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]benzamide
CID 113012431
N-(4-ethoxyphenyl)-6-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109153204
N-(4-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carboxamide
CID 109174963
N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]-4-methoxybenzamide
CID 113025505
1-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]-3-propan-2-ylurea
CID 113029923

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]benzamide?
The IUPAC name of 4-methoxy-N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]benzamide (CID 113014697) is 4-methoxy-N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]benzamide?
The canonical SMILES for 4-methoxy-N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]benzamide is COc1ccc(OCCNc2ccc(NC(=O)c3ccc(OC)cc3)cn2)cc1.
What is the InChIKey of 4-methoxy-N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]benzamide?
The InChIKey is VHPIMOURGIFUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-27-18-6-3-16(4-7-18)22(26)25-17-5-12-21(24-15-17)23-13-14-29-20-10-8-19(28-2)9-11-20/h3-12,15H,13-14H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 4-methoxy-N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]benzamide?
4-methoxy-N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]benzamide has a molecular weight of 393.44 g/mol, XLogP of 3.84, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]benzamide is sourced from PubChem (CID 113014697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).