ethyl 4-[(6-phenoxypyridine-3-carbonyl)amino]butanoate

C18H20N2O4 — CID 87002133

IUPACethyl 4-[(6-phenoxypyridine-3-carbonyl)amino]butanoate
SMILESCCOC(=O)CCCNC(=O)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C18H20N2O4/c1-2-23-17(21)9-6-12-19-18(22)14-10-11-16(20-13-14)24-15-7-4-3-5-8-15/h3-5,7-8,10-11,13H,2,6,9,12H2,1H3,(H,19,22)
InChIKeyWOTKQGLDARVCDF-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.95
Rot. Bonds8

About ethyl 4-[(6-phenoxypyridine-3-carbonyl)amino]butanoate

ethyl 4-[(6-phenoxypyridine-3-carbonyl)amino]butanoate (PubChem CID 87002133) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is ethyl 4-[(6-phenoxypyridine-3-carbonyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[(6-phenoxypyridine-3-carbonyl)amino]butanoate
PubChem CID87002133
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Nameethyl 4-[(6-phenoxypyridine-3-carbonyl)amino]butanoate
SMILESCCOC(=O)CCCNC(=O)c1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C18H20N2O4/c1-2-23-17(21)9-6-12-19-18(22)14-10-11-16(20-13-14)24-15-7-4-3-5-8-15/h3-5,7-8,10-11,13H,2,6,9,12H2,1H3,(H,19,22)
InChIKeyWOTKQGLDARVCDF-UHFFFAOYSA-N
XLogP2.95
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-6-phenoxypyridine-3-carboxamide
CID 87000425
N-[3-(2-methoxyethoxy)propyl]-6-phenoxypyridine-3-carboxamide
CID 87002549
N-[[4-(butylcarbamoyl)phenyl]methyl]-6-phenoxypyridine-3-carboxamide
CID 78901073
N-[2-[(4-chlorobenzoyl)amino]ethyl]-6-phenoxypyridine-3-carboxamide
CID 78888100
2-ethyl-2-[[(6-phenoxypyridine-3-carbonyl)amino]methyl]butanoic acid
CID 120533319
2-[(6-phenoxypyridine-3-carbonyl)amino]acetic acid
CID 163226654
ethyl 2-[[4-[2-[(6-phenoxypyridine-3-carbonyl)amino]ethoxy]phenyl]methyl]hexanoate
CID 18625705
N-(2-hydroxypropyl)-6-phenoxypyridine-3-carboxamide
CID 78888027
6-phenoxy-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 87000850
ethyl 4-[(4-carbamoylbenzoyl)amino]butanoate
CID 37260222
N-[(2-ethoxy-4-pyridinyl)methyl]-6-phenoxypyridine-3-carboxamide
CID 78899959
ethyl 4-[(3,4-dimethylbenzoyl)amino]butanoate
CID 60637398

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(6-phenoxypyridine-3-carbonyl)amino]butanoate?
The IUPAC name of ethyl 4-[(6-phenoxypyridine-3-carbonyl)amino]butanoate (CID 87002133) is ethyl 4-[(6-phenoxypyridine-3-carbonyl)amino]butanoate.
What is the SMILES notation for ethyl 4-[(6-phenoxypyridine-3-carbonyl)amino]butanoate?
The canonical SMILES for ethyl 4-[(6-phenoxypyridine-3-carbonyl)amino]butanoate is CCOC(=O)CCCNC(=O)c1ccc(Oc2ccccc2)nc1.
What is the InChIKey of ethyl 4-[(6-phenoxypyridine-3-carbonyl)amino]butanoate?
The InChIKey is WOTKQGLDARVCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-2-23-17(21)9-6-12-19-18(22)14-10-11-16(20-13-14)24-15-7-4-3-5-8-15/h3-5,7-8,10-11,13H,2,6,9,12H2,1H3,(H,19,22).
What are the key properties of ethyl 4-[(6-phenoxypyridine-3-carbonyl)amino]butanoate?
ethyl 4-[(6-phenoxypyridine-3-carbonyl)amino]butanoate has a molecular weight of 328.37 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(6-phenoxypyridine-3-carbonyl)amino]butanoate is sourced from PubChem (CID 87002133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).