3,6-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide

C13H15Cl2N3O2 — CID 46597760

IUPAC3,6-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide
SMILESO=C(NCCC(=O)N1CCCC1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C13H15Cl2N3O2/c14-9-3-4-10(15)17-12(9)13(20)16-6-5-11(19)18-7-1-2-8-18/h3-4H,1-2,5-8H2,(H,16,20)
InChIKeyGVSMVQATXMMYCQ-UHFFFAOYSA-N
MW316.19 g/mol
LogP2.13
Rot. Bonds4

About 3,6-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide

3,6-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide (PubChem CID 46597760) has the molecular formula C13H15Cl2N3O2 and a molecular weight of 316.19 g/mol. Its IUPAC name is 3,6-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide
PubChem CID46597760
Molecular FormulaC13H15Cl2N3O2
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC Name3,6-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide
SMILESO=C(NCCC(=O)N1CCCC1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C13H15Cl2N3O2/c14-9-3-4-10(15)17-12(9)13(20)16-6-5-11(19)18-7-1-2-8-18/h3-4H,1-2,5-8H2,(H,16,20)
InChIKeyGVSMVQATXMMYCQ-UHFFFAOYSA-N
XLogP2.13
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,6-dichloro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 1397872
3,4-dichloro-2-hydroxy-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 56782028
6-chloro-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide
CID 103187315
2,3-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157050
3,6-dichloro-N-[3-(dimethylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 47215448
2-chloro-5-methylsulfanyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 46598347
3,6-dichloro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 43080560
propan-2-yl 3-[(3,6-dichloropyridine-2-carbonyl)amino]propanoate
CID 47123964
2-(2-chloro-6-fluorophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 18157049
3,6-dichloro-N-(2-cyanoethyl)pyridine-2-carboxamide
CID 60693634
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
3-(3,4-dichloroanilino)-1-piperidin-1-ylpropan-1-one
CID 109013913

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide (CID 46597760) is 3,6-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide is O=C(NCCC(=O)N1CCCC1)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide?
The InChIKey is GVSMVQATXMMYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O2/c14-9-3-4-10(15)17-12(9)13(20)16-6-5-11(19)18-7-1-2-8-18/h3-4H,1-2,5-8H2,(H,16,20).
What are the key properties of 3,6-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide?
3,6-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide has a molecular weight of 316.19 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 46597760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).