4-N-tert-butyl-2-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2,4-dicarboxamide

C20H25N3O4 — CID 109089109

IUPAC4-N-tert-butyl-2-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2,4-dicarboxamide
SMILESCOc1ccc(OCCNC(=O)c2cc(C(=O)NC(C)(C)C)ccn2)cc1
InChIInChI=1S/C20H25N3O4/c1-20(2,3)23-18(24)14-9-10-21-17(13-14)19(25)22-11-12-27-16-7-5-15(26-4)6-8-16/h5-10,13H,11-12H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyLDJRKIUMUAHDHK-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.43
Rot. Bonds7

About 4-N-tert-butyl-2-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2,4-dicarboxamide

4-N-tert-butyl-2-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2,4-dicarboxamide (PubChem CID 109089109) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-N-tert-butyl-2-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-tert-butyl-2-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2,4-dicarboxamide
PubChem CID109089109
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name4-N-tert-butyl-2-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2,4-dicarboxamide
SMILESCOc1ccc(OCCNC(=O)c2cc(C(=O)NC(C)(C)C)ccn2)cc1
InChIInChI=1S/C20H25N3O4/c1-20(2,3)23-18(24)14-9-10-21-17(13-14)19(25)22-11-12-27-16-7-5-15(26-4)6-8-16/h5-10,13H,11-12H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyLDJRKIUMUAHDHK-UHFFFAOYSA-N
XLogP2.43
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080378
4-N-(2-methoxyethyl)-2-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109082154
4-N-[2-(4-methoxyphenoxy)ethyl]-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083297
N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 27173434
2-N-[(4-methoxyphenyl)methyl]-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082506
4-N-tert-butyl-2-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109079060
N-[2-(4-methoxyphenoxy)ethyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208280
4-(4-acetylpiperazin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2-carboxamide
CID 109209181
2-N-[(4-methoxyphenyl)methyl]-4-N-propylpyridine-2,4-dicarboxamide
CID 109077649
3-[2-(4-methoxyphenoxy)ethylcarbamoyl]pyrazine-2-carboxylate
CID 7189406
4-(2-ethylanilino)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2-carboxamide
CID 109216750
2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109079380

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-2-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-tert-butyl-2-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2,4-dicarboxamide (CID 109089109) is 4-N-tert-butyl-2-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-tert-butyl-2-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-tert-butyl-2-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2,4-dicarboxamide is COc1ccc(OCCNC(=O)c2cc(C(=O)NC(C)(C)C)ccn2)cc1.
What is the InChIKey of 4-N-tert-butyl-2-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2,4-dicarboxamide?
The InChIKey is LDJRKIUMUAHDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-20(2,3)23-18(24)14-9-10-21-17(13-14)19(25)22-11-12-27-16-7-5-15(26-4)6-8-16/h5-10,13H,11-12H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of 4-N-tert-butyl-2-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2,4-dicarboxamide?
4-N-tert-butyl-2-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2,4-dicarboxamide has a molecular weight of 371.44 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-2-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109089109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).