6-chloro-5-cyano-N,N-dimethyl-2-pyrrolidin-1-ylpyridine-3-carboxamide

C13H15ClN4O — CID 175758727

IUPAC6-chloro-5-cyano-N,N-dimethyl-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cc(C#N)c(Cl)nc1N1CCCC1
InChIInChI=1S/C13H15ClN4O/c1-17(2)13(19)10-7-9(8-15)11(14)16-12(10)18-5-3-4-6-18/h7H,3-6H2,1-2H3
InChIKeyGJRYCBSSLRXULG-UHFFFAOYSA-N
MW278.74 g/mol
LogP1.91
Rot. Bonds2

About 6-chloro-5-cyano-N,N-dimethyl-2-pyrrolidin-1-ylpyridine-3-carboxamide

6-chloro-5-cyano-N,N-dimethyl-2-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 175758727) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 6-chloro-5-cyano-N,N-dimethyl-2-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-5-cyano-N,N-dimethyl-2-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID175758727
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name6-chloro-5-cyano-N,N-dimethyl-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cc(C#N)c(Cl)nc1N1CCCC1
InChIInChI=1S/C13H15ClN4O/c1-17(2)13(19)10-7-9(8-15)11(14)16-12(10)18-5-3-4-6-18/h7H,3-6H2,1-2H3
InChIKeyGJRYCBSSLRXULG-UHFFFAOYSA-N
XLogP1.91
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 6-chloro-5-cyano-N,N-dimethyl-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of 6-chloro-5-cyano-N,N-dimethyl-2-pyrrolidin-1-ylpyridine-3-carboxamide (CID 175758727) is 6-chloro-5-cyano-N,N-dimethyl-2-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-5-cyano-N,N-dimethyl-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for 6-chloro-5-cyano-N,N-dimethyl-2-pyrrolidin-1-ylpyridine-3-carboxamide is CN(C)C(=O)c1cc(C#N)c(Cl)nc1N1CCCC1.
What is the InChIKey of 6-chloro-5-cyano-N,N-dimethyl-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is GJRYCBSSLRXULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-17(2)13(19)10-7-9(8-15)11(14)16-12(10)18-5-3-4-6-18/h7H,3-6H2,1-2H3.
What are the key properties of 6-chloro-5-cyano-N,N-dimethyl-2-pyrrolidin-1-ylpyridine-3-carboxamide?
6-chloro-5-cyano-N,N-dimethyl-2-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 278.74 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-cyano-N,N-dimethyl-2-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 175758727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).