methyl 2-[(2-chloropyridine-3-carbonyl)amino]pentanoate

C12H15ClN2O3 — CID 102561066

IUPACmethyl 2-[(2-chloropyridine-3-carbonyl)amino]pentanoate
SMILESCCCC(NC(=O)c1cccnc1Cl)C(=O)OC
InChIInChI=1S/C12H15ClN2O3/c1-3-5-9(12(17)18-2)15-11(16)8-6-4-7-14-10(8)13/h4,6-7,9H,3,5H2,1-2H3,(H,15,16)
InChIKeyFOFSFJOXNLGZFA-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.81
Rot. Bonds5

About methyl 2-[(2-chloropyridine-3-carbonyl)amino]pentanoate

methyl 2-[(2-chloropyridine-3-carbonyl)amino]pentanoate (PubChem CID 102561066) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is methyl 2-[(2-chloropyridine-3-carbonyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-[(2-chloropyridine-3-carbonyl)amino]pentanoate
PubChem CID102561066
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Namemethyl 2-[(2-chloropyridine-3-carbonyl)amino]pentanoate
SMILESCCCC(NC(=O)c1cccnc1Cl)C(=O)OC
InChIInChI=1S/C12H15ClN2O3/c1-3-5-9(12(17)18-2)15-11(16)8-6-4-7-14-10(8)13/h4,6-7,9H,3,5H2,1-2H3,(H,15,16)
InChIKeyFOFSFJOXNLGZFA-UHFFFAOYSA-N
XLogP1.81
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid
CID 114011869
2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid
CID 103602675
2-chloro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide
CID 62722481
methyl 2-[(2-chloro-3-methylbenzoyl)amino]pentanoate
CID 176962244
2-[(2-chloropyridine-3-carbonyl)amino]butanedioic acid
CID 103602693
methyl 2-(pyridine-3-carbonylamino)pentanoate
CID 123866102
2-chloro-N-(3-ethylpentan-2-yl)pyridine-3-carboxamide
CID 63836533
methyl 2-[(2-chloropyridine-3-carbonyl)amino]-3-[3-[(2,6-dichlorophenyl)methoxy]phenyl]propanoate
CID 22624506
2-chloro-N-propylpyridine-3-carboxamide
CID 4286757
methyl 2-[(2-ethylsulfanylpyridine-3-carbonyl)amino]-4-methylsulfanylbutanoate
CID 4662925
2-chloro-N-ethylpyridine-3-carboxamide
CID 9182570
methyl 3-hydroxy-2-[(2-methoxypyridine-3-carbonyl)amino]propanoate
CID 43423436

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chloropyridine-3-carbonyl)amino]pentanoate?
The IUPAC name of methyl 2-[(2-chloropyridine-3-carbonyl)amino]pentanoate (CID 102561066) is methyl 2-[(2-chloropyridine-3-carbonyl)amino]pentanoate.
What is the SMILES notation for methyl 2-[(2-chloropyridine-3-carbonyl)amino]pentanoate?
The canonical SMILES for methyl 2-[(2-chloropyridine-3-carbonyl)amino]pentanoate is CCCC(NC(=O)c1cccnc1Cl)C(=O)OC.
What is the InChIKey of methyl 2-[(2-chloropyridine-3-carbonyl)amino]pentanoate?
The InChIKey is FOFSFJOXNLGZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-3-5-9(12(17)18-2)15-11(16)8-6-4-7-14-10(8)13/h4,6-7,9H,3,5H2,1-2H3,(H,15,16).
What are the key properties of methyl 2-[(2-chloropyridine-3-carbonyl)amino]pentanoate?
methyl 2-[(2-chloropyridine-3-carbonyl)amino]pentanoate has a molecular weight of 270.72 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chloropyridine-3-carbonyl)amino]pentanoate is sourced from PubChem (CID 102561066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).