N-(2-methoxyethyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide

C17H21N3O2 — CID 109227649

IUPACN-(2-methoxyethyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cncc(NCc2ccc(C)cc2)c1
InChIInChI=1S/C17H21N3O2/c1-13-3-5-14(6-4-13)10-20-16-9-15(11-18-12-16)17(21)19-7-8-22-2/h3-6,9,11-12,20H,7-8,10H2,1-2H3,(H,19,21)
InChIKeyMUBOJJISAGQLLX-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.38
Rot. Bonds7

About N-(2-methoxyethyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide

N-(2-methoxyethyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide (PubChem CID 109227649) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
PubChem CID109227649
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(2-methoxyethyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cncc(NCc2ccc(C)cc2)c1
InChIInChI=1S/C17H21N3O2/c1-13-3-5-14(6-4-13)10-20-16-9-15(11-18-12-16)17(21)19-7-8-22-2/h3-6,9,11-12,20H,7-8,10H2,1-2H3,(H,19,21)
InChIKeyMUBOJJISAGQLLX-UHFFFAOYSA-N
XLogP2.38
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-methylphenyl)methylamino]-N-propylpyridine-3-carboxamide
CID 109222786
N-butyl-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109224364
N-[2-(dimethylamino)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109229098
N-[(4-methylphenyl)methyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109232496
5-[(4-chlorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228025
5-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227666
N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232216
N-(2-methoxyethyl)-5-(propylamino)pyridine-3-carboxamide
CID 109222970
N-[2-(3-chlorophenyl)ethyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232662
5-[2-(4-chlorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227679
N-(2-methoxyethyl)-5-[2-(4-methoxyphenyl)ethylamino]pyridine-3-carboxamide
CID 109227669
5-(furan-2-ylmethylamino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227645

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide (CID 109227649) is N-(2-methoxyethyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide is COCCNC(=O)c1cncc(NCc2ccc(C)cc2)c1.
What is the InChIKey of N-(2-methoxyethyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is MUBOJJISAGQLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13-3-5-14(6-4-13)10-20-16-9-15(11-18-12-16)17(21)19-7-8-22-2/h3-6,9,11-12,20H,7-8,10H2,1-2H3,(H,19,21).
What are the key properties of N-(2-methoxyethyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide?
N-(2-methoxyethyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109227649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).