6-(2-ethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide

C18H23N3O3 — CID 109153373

IUPAC6-(2-ethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
SMILESCCOc1ccccc1Nc1ccc(C(=O)NCCCOC)cn1
InChIInChI=1S/C18H23N3O3/c1-3-24-16-8-5-4-7-15(16)21-17-10-9-14(13-20-17)18(22)19-11-6-12-23-2/h4-5,7-10,13H,3,6,11-12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyPBFHNROVCBJIPL-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.99
Rot. Bonds9

About 6-(2-ethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide

6-(2-ethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide (PubChem CID 109153373) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 6-(2-ethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-ethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
PubChem CID109153373
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name6-(2-ethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
SMILESCCOc1ccccc1Nc1ccc(C(=O)NCCCOC)cn1
InChIInChI=1S/C18H23N3O3/c1-3-24-16-8-5-4-7-15(16)21-17-10-9-14(13-20-17)18(22)19-11-6-12-23-2/h4-5,7-10,13H,3,6,11-12H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyPBFHNROVCBJIPL-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
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-(3-methoxypropyl)-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109153376
6-(2-fluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153355
6-(2-ethoxyanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114381
6-(2-ethoxyanilino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151913
N-butyl-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109151752
N-[2-(cyclohexen-1-yl)ethyl]-6-(2-ethoxyanilino)pyridine-3-carboxamide
CID 109152831
6-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153423
6-(2-ethoxyanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109156225
N-(3,4-dimethoxyphenyl)-6-(2-ethoxyanilino)pyridine-3-carboxamide
CID 109164098
6-(butylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109151550
6-(2-ethoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109164093
N-[3-(dimethylamino)propyl]-6-(2-ethylanilino)pyridine-3-carboxamide
CID 109154445

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide?
The IUPAC name of 6-(2-ethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide (CID 109153373) is 6-(2-ethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-ethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(2-ethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide is CCOc1ccccc1Nc1ccc(C(=O)NCCCOC)cn1.
What is the InChIKey of 6-(2-ethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide?
The InChIKey is PBFHNROVCBJIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-24-16-8-5-4-7-15(16)21-17-10-9-14(13-20-17)18(22)19-11-6-12-23-2/h4-5,7-10,13H,3,6,11-12H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 6-(2-ethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide?
6-(2-ethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.99, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 109153373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).