1-(6-chloro-2-pyridinyl)pyrrolidine-3-carboxamide

C10H12ClN3O — CID 107257847

IUPAC1-(6-chloro-2-pyridinyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(c2cccc(Cl)n2)C1
InChIInChI=1S/C10H12ClN3O/c11-8-2-1-3-9(13-8)14-5-4-7(6-14)10(12)15/h1-3,7H,4-6H2,(H2,12,15)
InChIKeyAFFWYCCCMWGCBN-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.05
Rot. Bonds2

About 1-(6-chloro-2-pyridinyl)pyrrolidine-3-carboxamide

1-(6-chloro-2-pyridinyl)pyrrolidine-3-carboxamide (PubChem CID 107257847) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 1-(6-chloro-2-pyridinyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(6-chloro-2-pyridinyl)pyrrolidine-3-carboxamide
PubChem CID107257847
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name1-(6-chloro-2-pyridinyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(c2cccc(Cl)n2)C1
InChIInChI=1S/C10H12ClN3O/c11-8-2-1-3-9(13-8)14-5-4-7(6-14)10(12)15/h1-3,7H,4-6H2,(H2,12,15)
InChIKeyAFFWYCCCMWGCBN-UHFFFAOYSA-N
XLogP1.05
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.05
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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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-pyridinyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(6-chloro-2-pyridinyl)pyrrolidine-3-carboxamide (CID 107257847) is 1-(6-chloro-2-pyridinyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(6-chloro-2-pyridinyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(6-chloro-2-pyridinyl)pyrrolidine-3-carboxamide is NC(=O)C1CCN(c2cccc(Cl)n2)C1.
What is the InChIKey of 1-(6-chloro-2-pyridinyl)pyrrolidine-3-carboxamide?
The InChIKey is AFFWYCCCMWGCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c11-8-2-1-3-9(13-8)14-5-4-7(6-14)10(12)15/h1-3,7H,4-6H2,(H2,12,15).
What are the key properties of 1-(6-chloro-2-pyridinyl)pyrrolidine-3-carboxamide?
1-(6-chloro-2-pyridinyl)pyrrolidine-3-carboxamide has a molecular weight of 225.68 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-pyridinyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 107257847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).