N-(2-methoxyethyl)-6-(1-phenylethylamino)pyridine-3-carboxamide

C17H21N3O2 — CID 109152988

IUPACN-(2-methoxyethyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(NC(C)c2ccccc2)nc1
InChIInChI=1S/C17H21N3O2/c1-13(14-6-4-3-5-7-14)20-16-9-8-15(12-19-16)17(21)18-10-11-22-2/h3-9,12-13H,10-11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyZWLJLDJXIYQVNW-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.63
Rot. Bonds7

About N-(2-methoxyethyl)-6-(1-phenylethylamino)pyridine-3-carboxamide

N-(2-methoxyethyl)-6-(1-phenylethylamino)pyridine-3-carboxamide (PubChem CID 109152988) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-(1-phenylethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
PubChem CID109152988
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-(2-methoxyethyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(NC(C)c2ccccc2)nc1
InChIInChI=1S/C17H21N3O2/c1-13(14-6-4-3-5-7-14)20-16-9-8-15(12-19-16)17(21)18-10-11-22-2/h3-9,12-13H,10-11H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyZWLJLDJXIYQVNW-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-(3-methoxypropyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109153277
6-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 96531055
2-[[5-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid
CID 122062569
N-(2-methoxyethyl)-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109113913
N-[2-(cyclohexen-1-yl)ethyl]-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109152784
N-(2-methoxyethyl)-5-(1-phenylethylamino)pyridine-3-carboxamide
CID 109227650
N-(2-methoxyethyl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109153038
6-[2,6-di(propan-2-yl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153085
N-(2-phenylethyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764076
N-(4-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156139
N-(2-bromophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156169
N-(1,1-dioxothiolan-3-yl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156112

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-(1-phenylethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-6-(1-phenylethylamino)pyridine-3-carboxamide (CID 109152988) is N-(2-methoxyethyl)-6-(1-phenylethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-6-(1-phenylethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-6-(1-phenylethylamino)pyridine-3-carboxamide is COCCNC(=O)c1ccc(NC(C)c2ccccc2)nc1.
What is the InChIKey of N-(2-methoxyethyl)-6-(1-phenylethylamino)pyridine-3-carboxamide?
The InChIKey is ZWLJLDJXIYQVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13(14-6-4-3-5-7-14)20-16-9-8-15(12-19-16)17(21)18-10-11-22-2/h3-9,12-13H,10-11H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-(2-methoxyethyl)-6-(1-phenylethylamino)pyridine-3-carboxamide?
N-(2-methoxyethyl)-6-(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)-6-(1-phenylethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109152988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).