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

C21H22N4O2 — CID 109212673

IUPAC4-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
SMILESCOc1ccccc1CCNc1ccnc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C21H22N4O2/c1-27-20-8-3-2-6-16(20)9-12-23-17-10-13-24-19(14-17)21(26)25-15-18-7-4-5-11-22-18/h2-8,10-11,13-14H,9,12,15H2,1H3,(H,23,24)(H,25,26)
InChIKeyAGMGWNMUYKUORN-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.07
Rot. Bonds8

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

4-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 109212673) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
PubChem CID109212673
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name4-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
SMILESCOc1ccccc1CCNc1ccnc(C(=O)NCc2ccccn2)c1
InChIInChI=1S/C21H22N4O2/c1-27-20-8-3-2-6-16(20)9-12-23-17-10-13-24-19(14-17)21(26)25-15-18-7-4-5-11-22-18/h2-8,10-11,13-14H,9,12,15H2,1H3,(H,23,24)(H,25,26)
InChIKeyAGMGWNMUYKUORN-UHFFFAOYSA-N
XLogP3.07
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109211945
N-benzyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109209634
2-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307030
N-butyl-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109202505
N-[2-(2-methoxyphenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide
CID 109214267
4-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109202686
4-[3-(dimethylamino)propylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109207906
1-N-[2-(2-methoxyphenyl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054963
N-[2-(2-fluorophenyl)ethyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212815
4-(tert-butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211963
N-[2-(2-methoxyphenyl)ethyl]-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306886
N-(4-chlorophenyl)-4-[2-(2-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109214357

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 4-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide (CID 109212673) is 4-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide is COc1ccccc1CCNc1ccnc(C(=O)NCc2ccccn2)c1.
What is the InChIKey of 4-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is AGMGWNMUYKUORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-27-20-8-3-2-6-16(20)9-12-23-17-10-13-24-19(14-17)21(26)25-15-18-7-4-5-11-22-18/h2-8,10-11,13-14H,9,12,15H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 4-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
4-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109212673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).