ethyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]propanoate

C11H14ClN3O3 — CID 114045972

IUPACethyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1cc(N)cnc1Cl
InChIInChI=1S/C11H14ClN3O3/c1-2-18-9(16)3-4-14-11(17)8-5-7(13)6-15-10(8)12/h5-6H,2-4,13H2,1H3,(H,14,17)
InChIKeyWRLCGJCJFIPUFY-UHFFFAOYSA-N
MW271.70 g/mol
LogP1.00
Rot. Bonds5

About ethyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]propanoate

ethyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]propanoate (PubChem CID 114045972) has the molecular formula C11H14ClN3O3 and a molecular weight of 271.70 g/mol. Its IUPAC name is ethyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]propanoate
PubChem CID114045972
Molecular FormulaC11H14ClN3O3
Molecular Weight271.70 g/mol
Exact Mass271.07
IUPAC Nameethyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1cc(N)cnc1Cl
InChIInChI=1S/C11H14ClN3O3/c1-2-18-9(16)3-4-14-11(17)8-5-7(13)6-15-10(8)12/h5-6H,2-4,13H2,1H3,(H,14,17)
InChIKeyWRLCGJCJFIPUFY-UHFFFAOYSA-N
XLogP1.00
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[(1-chloroisoquinoline-4-carbonyl)amino]propanoate
CID 106766130
ethyl 3-[(5-amino-2-fluoro-3-methylbenzoyl)amino]propanoate
CID 103296353
ethyl 3-[(3,5-dichlorobenzoyl)amino]propanoate
CID 47437680
5-amino-2-chloro-N-[3-(methanesulfonamido)propyl]pyridine-3-carboxamide
CID 106332653
methyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]-2-hydroxypropanoate
CID 114046104
ethyl 3-[(4-amino-2-hydroxybenzoyl)amino]propanoate
CID 10015078
ethyl 3-[(4-chloro-2,5-difluorobenzoyl)amino]propanoate
CID 82773162
5-amino-2-chloro-N-(cyclopentylmethyl)pyridine-3-carboxamide
CID 114045919
5-amino-2-chloro-N-(5-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide
CID 106139343
5-amino-2-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-3-carboxamide
CID 114045976
5-amino-2-chloro-N-(2-prop-2-enylsulfanylethyl)pyridine-3-carboxamide
CID 106425075
ethyl 3-[(3-bromo-5-chlorobenzoyl)amino]propanoate
CID 103826754

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]propanoate?
The IUPAC name of ethyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]propanoate (CID 114045972) is ethyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]propanoate is CCOC(=O)CCNC(=O)c1cc(N)cnc1Cl.
What is the InChIKey of ethyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]propanoate?
The InChIKey is WRLCGJCJFIPUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O3/c1-2-18-9(16)3-4-14-11(17)8-5-7(13)6-15-10(8)12/h5-6H,2-4,13H2,1H3,(H,14,17).
What are the key properties of ethyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]propanoate?
ethyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]propanoate has a molecular weight of 271.70 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]propanoate is sourced from PubChem (CID 114045972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).