N-(2-methoxyethyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide

C18H23N3O3 — CID 109227669

IUPACN-(2-methoxyethyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cncc(NCCc2ccc(OC)cc2)c1
InChIInChI=1S/C18H23N3O3/c1-23-10-9-21-18(22)15-11-16(13-19-12-15)20-8-7-14-3-5-17(24-2)6-4-14/h3-6,11-13,20H,7-10H2,1-2H3,(H,21,22)
InChIKeyHDKAZGVWXGQYTK-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.12
Rot. Bonds9

About N-(2-methoxyethyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide

N-(2-methoxyethyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide (PubChem CID 109227669) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
PubChem CID109227669
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-(2-methoxyethyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cncc(NCCc2ccc(OC)cc2)c1
InChIInChI=1S/C18H23N3O3/c1-23-10-9-21-18(22)15-11-16(13-19-12-15)20-8-7-14-3-5-17(24-2)6-4-14/h3-6,11-13,20H,7-10H2,1-2H3,(H,21,22)
InChIKeyHDKAZGVWXGQYTK-UHFFFAOYSA-N
XLogP2.12
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.12
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

5-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227666
5-[2-(4-chlorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227679
N-[2-(2-fluorophenyl)ethyl]-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236233
N-(2-methoxyethyl)-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide
CID 109227677
5-anilino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109236857
5-[2-(3-methoxyphenyl)ethylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228038
5-[2-(3-methoxyphenyl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109235779
N-cyclopentyl-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109225918
N-(4-acetylphenyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109236959
5-[2-(2-fluorophenyl)ethylamino]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234374
N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109228217
N-(2-methoxyethyl)-5-(propylamino)pyridine-3-carboxamide
CID 109222970

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide (CID 109227669) is N-(2-methoxyethyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide is COCCNC(=O)c1cncc(NCCc2ccc(OC)cc2)c1.
What is the InChIKey of N-(2-methoxyethyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide?
The InChIKey is HDKAZGVWXGQYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-23-10-9-21-18(22)15-11-16(13-19-12-15)20-8-7-14-3-5-17(24-2)6-4-14/h3-6,11-13,20H,7-10H2,1-2H3,(H,21,22).
What are the key properties of N-(2-methoxyethyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide?
N-(2-methoxyethyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.12, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109227669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).