5,6-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide

C13H15Cl2N3O2 — CID 60635904

IUPAC5,6-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2N3O2/c14-10-7-9(8-17-12(10)15)13(20)16-4-2-6-18-5-1-3-11(18)19/h7-8H,1-6H2,(H,16,20)
InChIKeyDRUJSANRLMLSSS-UHFFFAOYSA-N
MW316.19 g/mol
LogP2.13
Rot. Bonds5

About 5,6-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide

5,6-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide (PubChem CID 60635904) has the molecular formula C13H15Cl2N3O2 and a molecular weight of 316.19 g/mol. Its IUPAC name is 5,6-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
PubChem CID60635904
Molecular FormulaC13H15Cl2N3O2
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC Name5,6-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H15Cl2N3O2/c14-10-7-9(8-17-12(10)15)13(20)16-4-2-6-18-5-1-3-11(18)19/h7-8H,1-6H2,(H,16,20)
InChIKeyDRUJSANRLMLSSS-UHFFFAOYSA-N
XLogP2.13
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 87021021
3,4-dichloro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 78802534
3-chloro-4-iodo-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 103734648
5,6-dichloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 60783145
6-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 143798014
5-bromo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 2532950
3,5-dichloro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 78802475
4-chloro-1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-5-carboxamide
CID 6464749
4-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide
CID 18161251
3-chloro-4-fluoro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide
CID 90650238
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-4-carboxamide
CID 117094373
N-[3-(2-oxopyrrolidin-1-yl)propyl]-3,5-bis(trifluoromethyl)benzamide
CID 78777407

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide (CID 60635904) is 5,6-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide is O=C(NCCCN1CCCC1=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide?
The InChIKey is DRUJSANRLMLSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O2/c14-10-7-9(8-17-12(10)15)13(20)16-4-2-6-18-5-1-3-11(18)19/h7-8H,1-6H2,(H,16,20).
What are the key properties of 5,6-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide?
5,6-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide has a molecular weight of 316.19 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 60635904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).