2-[2-(4-methoxyphenoxy)ethylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide

C22H23N3O4 — CID 109174968

IUPAC2-[2-(4-methoxyphenoxy)ethylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(OCCNc2cc(C(=O)Nc3cccc(OC)c3)ccn2)cc1
InChIInChI=1S/C22H23N3O4/c1-27-18-6-8-19(9-7-18)29-13-12-24-21-14-16(10-11-23-21)22(26)25-17-4-3-5-20(15-17)28-2/h3-11,14-15H,12-13H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyOBRITYCOFNQHBP-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.84
Rot. Bonds9

About 2-[2-(4-methoxyphenoxy)ethylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide

2-[2-(4-methoxyphenoxy)ethylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 109174968) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenoxy)ethylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenoxy)ethylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide
PubChem CID109174968
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name2-[2-(4-methoxyphenoxy)ethylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(OCCNc2cc(C(=O)Nc3cccc(OC)c3)ccn2)cc1
InChIInChI=1S/C22H23N3O4/c1-27-18-6-8-19(9-7-18)29-13-12-24-21-14-16(10-11-23-21)22(26)25-17-4-3-5-20(15-17)28-2/h3-11,14-15H,12-13H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyOBRITYCOFNQHBP-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

N-(4-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carboxamide
CID 109174963
2-[3-(dimethylamino)propylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109168403
2-(4-ethoxyanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109177953
N-(4-ethoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172946
2-[2-(3-methoxyphenyl)ethylamino]-N-(4-methylphenyl)pyridine-4-carboxamide
CID 109172917
N-(3-bromophenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109178014
2-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109177974
2-(3-chloroanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109177464
N-(3,4-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172961
N,N-diethyl-2-[2-(4-methoxyphenoxy)ethylamino]pyridine-4-carboxamide
CID 109174710
4-methoxy-N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]benzamide
CID 113014697
4-methoxy-N-[3-[2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethoxy]phenyl]benzamide
CID 133372618

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenoxy)ethylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-[2-(4-methoxyphenoxy)ethylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide (CID 109174968) is 2-[2-(4-methoxyphenoxy)ethylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[2-(4-methoxyphenoxy)ethylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[2-(4-methoxyphenoxy)ethylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide is COc1ccc(OCCNc2cc(C(=O)Nc3cccc(OC)c3)ccn2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenoxy)ethylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide?
The InChIKey is OBRITYCOFNQHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-27-18-6-8-19(9-7-18)29-13-12-24-21-14-16(10-11-23-21)22(26)25-17-4-3-5-20(15-17)28-2/h3-11,14-15H,12-13H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 2-[2-(4-methoxyphenoxy)ethylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide?
2-[2-(4-methoxyphenoxy)ethylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide 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 2-[2-(4-methoxyphenoxy)ethylamino]-N-(3-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109174968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).