propan-2-yl 3-[(3,6-dichloropyridine-2-carbonyl)amino]propanoate

C12H14Cl2N2O3 — CID 47123964

IUPACpropan-2-yl 3-[(3,6-dichloropyridine-2-carbonyl)amino]propanoate
SMILESCC(C)OC(=O)CCNC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl2N2O3/c1-7(2)19-10(17)5-6-15-12(18)11-8(13)3-4-9(14)16-11/h3-4,7H,5-6H2,1-2H3,(H,15,18)
InChIKeySBARDJJBJPDOBT-UHFFFAOYSA-N
MW305.16 g/mol
LogP2.46
Rot. Bonds5

About propan-2-yl 3-[(3,6-dichloropyridine-2-carbonyl)amino]propanoate

propan-2-yl 3-[(3,6-dichloropyridine-2-carbonyl)amino]propanoate (PubChem CID 47123964) has the molecular formula C12H14Cl2N2O3 and a molecular weight of 305.16 g/mol. Its IUPAC name is propan-2-yl 3-[(3,6-dichloropyridine-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[(3,6-dichloropyridine-2-carbonyl)amino]propanoate
PubChem CID47123964
Molecular FormulaC12H14Cl2N2O3
Molecular Weight305.16 g/mol
Exact Mass304.04
IUPAC Namepropan-2-yl 3-[(3,6-dichloropyridine-2-carbonyl)amino]propanoate
SMILESCC(C)OC(=O)CCNC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl2N2O3/c1-7(2)19-10(17)5-6-15-12(18)11-8(13)3-4-9(14)16-11/h3-4,7H,5-6H2,1-2H3,(H,15,18)
InChIKeySBARDJJBJPDOBT-UHFFFAOYSA-N
XLogP2.46
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 52.46
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

3,6-dichloro-N-(3-propan-2-yloxypropyl)pyridine-2-carboxamide
CID 60690676
3,6-dichloro-N-[3-(dimethylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 47215448
3,6-dichloro-N-[2-(2-methylpropoxy)ethyl]pyridine-2-carboxamide
CID 113225696
3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 60692450
3,6-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide
CID 46597760
3,6-dichloro-N-(2-cyanoethyl)pyridine-2-carboxamide
CID 60693634
3,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-2-carboxamide
CID 115619986
4-[(3,6-dichloropyridine-2-carbonyl)amino]-3-methylbutanoic acid
CID 114037038
3,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-2-carboxamide
CID 113365346
3,6-dichloro-N-(4-cyanobutyl)pyridine-2-carboxamide
CID 63284311
3,6-dichloropyridine-2-carbohydrazide
CID 45278328
N-[2-(2-amino-2-oxoethoxy)ethyl]-3,6-dichloropyridine-2-carboxamide
CID 113257998

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[(3,6-dichloropyridine-2-carbonyl)amino]propanoate?
The IUPAC name of propan-2-yl 3-[(3,6-dichloropyridine-2-carbonyl)amino]propanoate (CID 47123964) is propan-2-yl 3-[(3,6-dichloropyridine-2-carbonyl)amino]propanoate.
What is the SMILES notation for propan-2-yl 3-[(3,6-dichloropyridine-2-carbonyl)amino]propanoate?
The canonical SMILES for propan-2-yl 3-[(3,6-dichloropyridine-2-carbonyl)amino]propanoate is CC(C)OC(=O)CCNC(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of propan-2-yl 3-[(3,6-dichloropyridine-2-carbonyl)amino]propanoate?
The InChIKey is SBARDJJBJPDOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3/c1-7(2)19-10(17)5-6-15-12(18)11-8(13)3-4-9(14)16-11/h3-4,7H,5-6H2,1-2H3,(H,15,18).
What are the key properties of propan-2-yl 3-[(3,6-dichloropyridine-2-carbonyl)amino]propanoate?
propan-2-yl 3-[(3,6-dichloropyridine-2-carbonyl)amino]propanoate has a molecular weight of 305.16 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[(3,6-dichloropyridine-2-carbonyl)amino]propanoate is sourced from PubChem (CID 47123964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).