5-[2-(4-methoxyphenoxy)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide

C21H22N4O3 — CID 109191483

IUPAC5-[2-(4-methoxyphenoxy)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
SMILESCOc1ccc(OCCNc2ccc(C(=O)NCc3ccncc3)nc2)cc1
InChIInChI=1S/C21H22N4O3/c1-27-18-3-5-19(6-4-18)28-13-12-23-17-2-7-20(24-15-17)21(26)25-14-16-8-10-22-11-9-16/h2-11,15,23H,12-14H2,1H3,(H,25,26)
InChIKeyODXOXLKULQHSCN-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.91
Rot. Bonds9

About 5-[2-(4-methoxyphenoxy)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide

5-[2-(4-methoxyphenoxy)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide (PubChem CID 109191483) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenoxy)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(4-methoxyphenoxy)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
PubChem CID109191483
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name5-[2-(4-methoxyphenoxy)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
SMILESCOc1ccc(OCCNc2ccc(C(=O)NCc3ccncc3)nc2)cc1
InChIInChI=1S/C21H22N4O3/c1-27-18-3-5-19(6-4-18)28-13-12-23-17-2-7-20(24-15-17)21(26)25-14-16-8-10-22-11-9-16/h2-11,15,23H,12-14H2,1H3,(H,25,26)
InChIKeyODXOXLKULQHSCN-UHFFFAOYSA-N
XLogP2.91
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.91
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-methoxyphenyl)methyl]-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109190359
N-[(4-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190354
N-(4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191679
5-[2-(4-methoxyphenoxy)ethylamino]-N-prop-2-enylpyridine-2-carboxamide
CID 109180300
N-[(4-fluorophenyl)methyl]-5-[2-(4-methoxyphenoxy)ethylamino]pyrazine-2-carboxamide
CID 109281571
5-(3-methoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191536
5-[(2-methoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109190258
5-[(4-methoxyphenyl)methylamino]-N-propylpyridine-2-carboxamide
CID 109179073
6-N-(4-methoxyphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098383
5-hydrazinyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 104642246
5-(4-methoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191251
5-(3,4-difluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190451

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyphenoxy)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-[2-(4-methoxyphenoxy)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide (CID 109191483) is 5-[2-(4-methoxyphenoxy)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-(4-methoxyphenoxy)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[2-(4-methoxyphenoxy)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide is COc1ccc(OCCNc2ccc(C(=O)NCc3ccncc3)nc2)cc1.
What is the InChIKey of 5-[2-(4-methoxyphenoxy)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The InChIKey is ODXOXLKULQHSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-27-18-3-5-19(6-4-18)28-13-12-23-17-2-7-20(24-15-17)21(26)25-14-16-8-10-22-11-9-16/h2-11,15,23H,12-14H2,1H3,(H,25,26).
What are the key properties of 5-[2-(4-methoxyphenoxy)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
5-[2-(4-methoxyphenoxy)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.91, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenoxy)ethylamino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109191483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).