6-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyridine-3-carboxamide

C18H23N3O3 — CID 109151337

IUPAC6-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyridine-3-carboxamide
SMILESCOc1ccc(OCCNc2ccc(C(=O)NC(C)C)cn2)cc1
InChIInChI=1S/C18H23N3O3/c1-13(2)21-18(22)14-4-9-17(20-12-14)19-10-11-24-16-7-5-15(23-3)6-8-16/h4-9,12-13H,10-11H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyMWGDGUDJKRIREM-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.72
Rot. Bonds8

About 6-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyridine-3-carboxamide

6-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 109151337) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 6-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyridine-3-carboxamide
PubChem CID109151337
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name6-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyridine-3-carboxamide
SMILESCOc1ccc(OCCNc2ccc(C(=O)NC(C)C)cn2)cc1
InChIInChI=1S/C18H23N3O3/c1-13(2)21-18(22)14-4-9-17(20-12-14)19-10-11-24-16-7-5-15(23-3)6-8-16/h4-9,12-13H,10-11H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyMWGDGUDJKRIREM-UHFFFAOYSA-N
XLogP2.72
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.72
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

6-(3-methoxypropylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109151323
5-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyrazine-2-carboxamide
CID 109271228
1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-propan-2-ylurea
CID 113014721
4-methoxy-N-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]benzamide
CID 113014697
6-[2-(4-methoxyphenoxy)ethylamino]-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109160906
N-(2-fluorophenyl)-6-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
CID 109160901
1-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]-3-propan-2-ylurea
CID 113029923
1-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-propan-2-ylurea
CID 113044200
N-[2-(4-methoxyphenoxy)ethyl]-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155978
N-[2-(4-methoxyphenyl)ethyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 84570795
N-[6-[2-(4-methoxyphenoxy)ethylamino]pyridazin-3-yl]-3-methylbutanamide
CID 113044161
1-[6-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-3-phenylurea
CID 113014714

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyridine-3-carboxamide (CID 109151337) is 6-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyridine-3-carboxamide is COc1ccc(OCCNc2ccc(C(=O)NC(C)C)cn2)cc1.
What is the InChIKey of 6-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is MWGDGUDJKRIREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13(2)21-18(22)14-4-9-17(20-12-14)19-10-11-24-16-7-5-15(23-3)6-8-16/h4-9,12-13H,10-11H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 6-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyridine-3-carboxamide?
6-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methoxyphenoxy)ethylamino]-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 109151337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).