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

C12H17N3O3 — CID 104742417

IUPACethyl 4-[(3-aminopyridine-2-carbonyl)amino]butanoate
SMILESCCOC(=O)CCCNC(=O)c1ncccc1N
InChIInChI=1S/C12H17N3O3/c1-2-18-10(16)6-4-8-15-12(17)11-9(13)5-3-7-14-11/h3,5,7H,2,4,6,8,13H2,1H3,(H,15,17)
InChIKeyHCWZEKSWCBGCGJ-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.74
Rot. Bonds6

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

ethyl 4-[(3-aminopyridine-2-carbonyl)amino]butanoate (PubChem CID 104742417) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is ethyl 4-[(3-aminopyridine-2-carbonyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[(3-aminopyridine-2-carbonyl)amino]butanoate
PubChem CID104742417
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Nameethyl 4-[(3-aminopyridine-2-carbonyl)amino]butanoate
SMILESCCOC(=O)CCCNC(=O)c1ncccc1N
InChIInChI=1S/C12H17N3O3/c1-2-18-10(16)6-4-8-15-12(17)11-9(13)5-3-7-14-11/h3,5,7H,2,4,6,8,13H2,1H3,(H,15,17)
InChIKeyHCWZEKSWCBGCGJ-UHFFFAOYSA-N
XLogP0.74
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.74
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-hydroxypyridine-2-carbonyl)amino]butanoate
CID 62734876
3-amino-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 104740997
3-amino-N-(4-methoxybutyl)pyridine-2-carboxamide
CID 104742127
ethyl 4-[(2-aminobenzoyl)amino]butanoate;hydrochloride
CID 119944593
3-amino-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 104740778
3-amino-N-[4-(cyclopropylamino)-4-oxobutyl]pyridine-2-carboxamide
CID 104742549
3-amino-N-[2-(diethylamino)ethyl]pyridine-2-carboxamide
CID 104740794
ethyl 3-aminopyridine-2-carboxylate
CID 565054
3-amino-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 104741450
ethane;ethyl 3-aminopyridine-2-carboxylate
CID 143635646
ethyl 4-[(2-amino-3-pyridinyl)oxy]butanoate
CID 18796228
ethyl 4-[(2-amino-5-methylbenzoyl)amino]butanoate
CID 64576957

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-aminopyridine-2-carbonyl)amino]butanoate?
The IUPAC name of ethyl 4-[(3-aminopyridine-2-carbonyl)amino]butanoate (CID 104742417) is ethyl 4-[(3-aminopyridine-2-carbonyl)amino]butanoate.
What is the SMILES notation for ethyl 4-[(3-aminopyridine-2-carbonyl)amino]butanoate?
The canonical SMILES for ethyl 4-[(3-aminopyridine-2-carbonyl)amino]butanoate is CCOC(=O)CCCNC(=O)c1ncccc1N.
What is the InChIKey of ethyl 4-[(3-aminopyridine-2-carbonyl)amino]butanoate?
The InChIKey is HCWZEKSWCBGCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-2-18-10(16)6-4-8-15-12(17)11-9(13)5-3-7-14-11/h3,5,7H,2,4,6,8,13H2,1H3,(H,15,17).
What are the key properties of ethyl 4-[(3-aminopyridine-2-carbonyl)amino]butanoate?
ethyl 4-[(3-aminopyridine-2-carbonyl)amino]butanoate has a molecular weight of 251.29 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-aminopyridine-2-carbonyl)amino]butanoate is sourced from PubChem (CID 104742417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).