N-(2-methoxyethyl)-5-(1-phenylethylamino)pyridine-3-carboxamide

C17H21N3O2 — CID 109227650

IUPACN-(2-methoxyethyl)-5-(1-phenylethylamino)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cncc(NC(C)c2ccccc2)c1
InChIInChI=1S/C17H21N3O2/c1-13(14-6-4-3-5-7-14)20-16-10-15(11-18-12-16)17(21)19-8-9-22-2/h3-7,10-13,20H,8-9H2,1-2H3,(H,19,21)
InChIKeyRZBLOQQZZRVLCJ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.63
Rot. Bonds7

About N-(2-methoxyethyl)-5-(1-phenylethylamino)pyridine-3-carboxamide

N-(2-methoxyethyl)-5-(1-phenylethylamino)pyridine-3-carboxamide (PubChem CID 109227650) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(1-phenylethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(1-phenylethylamino)pyridine-3-carboxamide
PubChem CID109227650
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(2-methoxyethyl)-5-(1-phenylethylamino)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cncc(NC(C)c2ccccc2)c1
InChIInChI=1S/C17H21N3O2/c1-13(14-6-4-3-5-7-14)20-16-10-15(11-18-12-16)17(21)19-8-9-22-2/h3-7,10-13,20H,8-9H2,1-2H3,(H,19,21)
InChIKeyRZBLOQQZZRVLCJ-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
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

N-[2-(dimethylamino)ethyl]-5-(1-phenylethylamino)pyridine-3-carboxamide
CID 109229099
N-benzyl-5-(1-phenylethylamino)pyridine-3-carboxamide
CID 109231634
5-anilino-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227713
N-[(4-fluorophenyl)methyl]-5-(1-phenylethylamino)pyridine-3-carboxamide
CID 109232883
N-(2-methoxyethyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109152988
N-(4-ethylphenyl)-5-(1-phenylethylamino)pyridine-3-carboxamide
CID 109232942
5-(2,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227724
N-(2-methoxyethyl)-5-(propylamino)pyridine-3-carboxamide
CID 109222970
5-N-(2-methoxyethyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide
CID 109103452
5-(3-acetamidoanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227768
N-(3-methoxypropyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109153277
N-(2-methoxyethyl)-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109113913

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-(1-phenylethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-(1-phenylethylamino)pyridine-3-carboxamide (CID 109227650) is N-(2-methoxyethyl)-5-(1-phenylethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-(1-phenylethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-(1-phenylethylamino)pyridine-3-carboxamide is COCCNC(=O)c1cncc(NC(C)c2ccccc2)c1.
What is the InChIKey of N-(2-methoxyethyl)-5-(1-phenylethylamino)pyridine-3-carboxamide?
The InChIKey is RZBLOQQZZRVLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13(14-6-4-3-5-7-14)20-16-10-15(11-18-12-16)17(21)19-8-9-22-2/h3-7,10-13,20H,8-9H2,1-2H3,(H,19,21).
What are the key properties of N-(2-methoxyethyl)-5-(1-phenylethylamino)pyridine-3-carboxamide?
N-(2-methoxyethyl)-5-(1-phenylethylamino)pyridine-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.63, 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-(1-phenylethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109227650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).