methyl 4-[(6-chloropyridine-2-carbonyl)amino]butanoate

C11H13ClN2O3 — CID 62233867

IUPACmethyl 4-[(6-chloropyridine-2-carbonyl)amino]butanoate
SMILESCOC(=O)CCCNC(=O)c1cccc(Cl)n1
InChIInChI=1S/C11H13ClN2O3/c1-17-10(15)6-3-7-13-11(16)8-4-2-5-9(12)14-8/h2,4-5H,3,6-7H2,1H3,(H,13,16)
InChIKeyMKBONKLTYLGEIC-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.42
Rot. Bonds5

About methyl 4-[(6-chloropyridine-2-carbonyl)amino]butanoate

methyl 4-[(6-chloropyridine-2-carbonyl)amino]butanoate (PubChem CID 62233867) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is methyl 4-[(6-chloropyridine-2-carbonyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[(6-chloropyridine-2-carbonyl)amino]butanoate
PubChem CID62233867
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Namemethyl 4-[(6-chloropyridine-2-carbonyl)amino]butanoate
SMILESCOC(=O)CCCNC(=O)c1cccc(Cl)n1
InChIInChI=1S/C11H13ClN2O3/c1-17-10(15)6-3-7-13-11(16)8-4-2-5-9(12)14-8/h2,4-5H,3,6-7H2,1H3,(H,13,16)
InChIKeyMKBONKLTYLGEIC-UHFFFAOYSA-N
XLogP1.42
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(5-hydroxypentyl)pyridine-2-carboxamide
CID 107317157
6-chloro-N-(4-methylpentyl)pyridine-2-carboxamide
CID 62235303
N-(2-acetamidoethyl)-6-chloropyridine-2-carboxamide
CID 62234709
6-chloro-N-(4-methylsulfanylbutyl)pyridine-2-carboxamide
CID 115635837
6-chloro-N-(3-formamidopropyl)pyridine-2-carboxamide
CID 84580412
6-chloro-N-(3-ethenoxypropyl)pyridine-2-carboxamide
CID 62233139
6-chloro-N-(3-sulfamoylpropyl)pyridine-2-carboxamide
CID 62234046
6-chloro-N-(4-cyanobutyl)pyridine-2-carboxamide
CID 63284925
methyl 3-[(6-chloropyridine-2-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 78958864
2-[(6-chloropyridine-2-carbonyl)amino]ethyl carbamate
CID 83210511
methyl 3-[(6-bromopyridine-2-carbonyl)amino]propanoate
CID 18918524
(2S)-2-[(6-chloropyridine-2-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820235

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(6-chloropyridine-2-carbonyl)amino]butanoate?
The IUPAC name of methyl 4-[(6-chloropyridine-2-carbonyl)amino]butanoate (CID 62233867) is methyl 4-[(6-chloropyridine-2-carbonyl)amino]butanoate.
What is the SMILES notation for methyl 4-[(6-chloropyridine-2-carbonyl)amino]butanoate?
The canonical SMILES for methyl 4-[(6-chloropyridine-2-carbonyl)amino]butanoate is COC(=O)CCCNC(=O)c1cccc(Cl)n1.
What is the InChIKey of methyl 4-[(6-chloropyridine-2-carbonyl)amino]butanoate?
The InChIKey is MKBONKLTYLGEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3/c1-17-10(15)6-3-7-13-11(16)8-4-2-5-9(12)14-8/h2,4-5H,3,6-7H2,1H3,(H,13,16).
What are the key properties of methyl 4-[(6-chloropyridine-2-carbonyl)amino]butanoate?
methyl 4-[(6-chloropyridine-2-carbonyl)amino]butanoate has a molecular weight of 256.69 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(6-chloropyridine-2-carbonyl)amino]butanoate is sourced from PubChem (CID 62233867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).