ethyl 4-[(3-hydroxypyridine-2-carbonyl)amino]butanoate

C12H16N2O4 — CID 62734876

IUPACethyl 4-[(3-hydroxypyridine-2-carbonyl)amino]butanoate
SMILESCCOC(=O)CCCNC(=O)c1ncccc1O
InChIInChI=1S/C12H16N2O4/c1-2-18-10(16)6-4-8-14-12(17)11-9(15)5-3-7-13-11/h3,5,7,15H,2,4,6,8H2,1H3,(H,14,17)
InChIKeyBSBKWNNSGIZRPX-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.86
Rot. Bonds6

About ethyl 4-[(3-hydroxypyridine-2-carbonyl)amino]butanoate

ethyl 4-[(3-hydroxypyridine-2-carbonyl)amino]butanoate (PubChem CID 62734876) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is ethyl 4-[(3-hydroxypyridine-2-carbonyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[(3-hydroxypyridine-2-carbonyl)amino]butanoate
PubChem CID62734876
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Nameethyl 4-[(3-hydroxypyridine-2-carbonyl)amino]butanoate
SMILESCCOC(=O)CCCNC(=O)c1ncccc1O
InChIInChI=1S/C12H16N2O4/c1-2-18-10(16)6-4-8-14-12(17)11-9(15)5-3-7-13-11/h3,5,7,15H,2,4,6,8H2,1H3,(H,14,17)
InChIKeyBSBKWNNSGIZRPX-UHFFFAOYSA-N
XLogP0.86
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.86
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

ethyl 4-[(3-aminopyridine-2-carbonyl)amino]butanoate
CID 104742417
3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-2-carboxamide
CID 104696914
N-(3-amino-3-oxopropyl)-3-hydroxypyridine-2-carboxamide
CID 60924836
ethyl 4-[(2-aminobenzoyl)amino]butanoate;hydrochloride
CID 119944593
3-hydroxypyridine-2-carbohydrazide
CID 45083058
N-(3-bromopropyl)-3-methylpyridine-2-carboxamide
CID 62338959
ethyl 4-[(2-pyridin-4-ylacetyl)amino]butanoate
CID 64580309
ethyl 4-[(5-chloro-2-hydroxybenzoyl)amino]butanoate
CID 60520407
ethyl 4-(1H-indazole-3-carbonylamino)butanoate
CID 60637293
N-(4-bromobutyl)-3-methylpyridine-2-carboxamide
CID 106845669
ethyl 4-[(4-carbamoylbenzoyl)amino]butanoate
CID 37260222
ethyl 4-[(3,4-dimethylbenzoyl)amino]butanoate
CID 60637398

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-hydroxypyridine-2-carbonyl)amino]butanoate?
The IUPAC name of ethyl 4-[(3-hydroxypyridine-2-carbonyl)amino]butanoate (CID 62734876) is ethyl 4-[(3-hydroxypyridine-2-carbonyl)amino]butanoate.
What is the SMILES notation for ethyl 4-[(3-hydroxypyridine-2-carbonyl)amino]butanoate?
The canonical SMILES for ethyl 4-[(3-hydroxypyridine-2-carbonyl)amino]butanoate is CCOC(=O)CCCNC(=O)c1ncccc1O.
What is the InChIKey of ethyl 4-[(3-hydroxypyridine-2-carbonyl)amino]butanoate?
The InChIKey is BSBKWNNSGIZRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-2-18-10(16)6-4-8-14-12(17)11-9(15)5-3-7-13-11/h3,5,7,15H,2,4,6,8H2,1H3,(H,14,17).
What are the key properties of ethyl 4-[(3-hydroxypyridine-2-carbonyl)amino]butanoate?
ethyl 4-[(3-hydroxypyridine-2-carbonyl)amino]butanoate has a molecular weight of 252.27 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-hydroxypyridine-2-carbonyl)amino]butanoate is sourced from PubChem (CID 62734876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).