methyl 3-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate

C13H17ClN2O3 — CID 113379816

IUPACmethyl 3-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1cc(Cl)nc(C(C)C)c1
InChIInChI=1S/C13H17ClN2O3/c1-8(2)10-6-9(7-11(14)16-10)13(18)15-5-4-12(17)19-3/h6-8H,4-5H2,1-3H3,(H,15,18)
InChIKeyZTZNIHSXDJCRKI-UHFFFAOYSA-N
MW284.74 g/mol
LogP2.15
Rot. Bonds5

About methyl 3-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate

methyl 3-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate (PubChem CID 113379816) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is methyl 3-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate
PubChem CID113379816
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Namemethyl 3-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1cc(Cl)nc(C(C)C)c1
InChIInChI=1S/C13H17ClN2O3/c1-8(2)10-6-9(7-11(14)16-10)13(18)15-5-4-12(17)19-3/h6-8H,4-5H2,1-3H3,(H,15,18)
InChIKeyZTZNIHSXDJCRKI-UHFFFAOYSA-N
XLogP2.15
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 52.15
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

2-chloro-N-(3-methylbutyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113379713
2-chloro-N-[3-[methyl(propan-2-yl)amino]propyl]-6-propan-2-ylpyridine-4-carboxamide
CID 106033397
2-chloro-N-hexyl-6-propan-2-ylpyridine-4-carboxamide
CID 113379798
methyl 6-[(2,6-dichloropyridine-4-carbonyl)amino]hexanoate
CID 103605118
2-chloro-N-(2-ethoxypropyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113477235
2-chloro-N-(2,2-dimethylbutyl)-6-propan-2-ylpyridine-4-carboxamide
CID 103461104
2-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-6-propan-2-ylpyridine-4-carboxamide
CID 106249808
2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-propan-2-ylpyridine-4-carboxamide
CID 106033510
methyl (2S)-2-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate
CID 113379820
2-chloro-N-(2-cyanopropyl)-6-propan-2-ylpyridine-4-carboxamide
CID 113379908
2-chloro-N-(2-methoxyethyl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide
CID 113379837
2-chloro-N-(2-methylpentan-3-yl)-6-propan-2-ylpyridine-4-carboxamide
CID 113379873

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate (CID 113379816) is methyl 3-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate is COC(=O)CCNC(=O)c1cc(Cl)nc(C(C)C)c1.
What is the InChIKey of methyl 3-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate?
The InChIKey is ZTZNIHSXDJCRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-8(2)10-6-9(7-11(14)16-10)13(18)15-5-4-12(17)19-3/h6-8H,4-5H2,1-3H3,(H,15,18).
What are the key properties of methyl 3-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate?
methyl 3-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate has a molecular weight of 284.74 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-chloro-6-propan-2-ylpyridine-4-carbonyl)amino]propanoate is sourced from PubChem (CID 113379816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).