2,6-dichloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide

C13H15Cl2N3O2 — CID 115596719

IUPAC2,6-dichloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
SMILESCC(NC(=O)c1cc(Cl)nc(Cl)c1)C(=O)N1CCCC1
InChIInChI=1S/C13H15Cl2N3O2/c1-8(13(20)18-4-2-3-5-18)16-12(19)9-6-10(14)17-11(15)7-9/h6-8H,2-5H2,1H3,(H,16,19)
InChIKeyHMSPRBCLQRDSRI-UHFFFAOYSA-N
MW316.19 g/mol
LogP2.13
Rot. Bonds3

About 2,6-dichloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide

2,6-dichloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide (PubChem CID 115596719) has the molecular formula C13H15Cl2N3O2 and a molecular weight of 316.19 g/mol. Its IUPAC name is 2,6-dichloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
PubChem CID115596719
Molecular FormulaC13H15Cl2N3O2
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC Name2,6-dichloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
SMILESCC(NC(=O)c1cc(Cl)nc(Cl)c1)C(=O)N1CCCC1
InChIInChI=1S/C13H15Cl2N3O2/c1-8(13(20)18-4-2-3-5-18)16-12(19)9-6-10(14)17-11(15)7-9/h6-8H,2-5H2,1H3,(H,16,19)
InChIKeyHMSPRBCLQRDSRI-UHFFFAOYSA-N
XLogP2.13
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

3,5-dihydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 104938945
1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide
CID 11090985
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]pyridine-4-carboxamide
CID 110347461
3-chloro-4-iodo-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 103735178
4-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 51147959
5-bromo-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-3-carboxamide
CID 47468363
3,4,5-trimethoxy-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 42702287
4-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 115730315
3-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide
CID 47337226
3-hydroxy-4-methoxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 115674973
5-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625511
3-chloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 113246489

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide (CID 115596719) is 2,6-dichloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide is CC(NC(=O)c1cc(Cl)nc(Cl)c1)C(=O)N1CCCC1.
What is the InChIKey of 2,6-dichloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide?
The InChIKey is HMSPRBCLQRDSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O2/c1-8(13(20)18-4-2-3-5-18)16-12(19)9-6-10(14)17-11(15)7-9/h6-8H,2-5H2,1H3,(H,16,19).
What are the key properties of 2,6-dichloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide?
2,6-dichloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide has a molecular weight of 316.19 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 115596719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).