3-chloro-2,2-dimethyl-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)propanamide

C13H16ClN3O — CID 90569484

IUPAC3-chloro-2,2-dimethyl-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)propanamide
SMILESCC(C)(CCl)C(=O)NCc1cc2ccccn2n1
InChIInChI=1S/C13H16ClN3O/c1-13(2,9-14)12(18)15-8-10-7-11-5-3-4-6-17(11)16-10/h3-7H,8-9H2,1-2H3,(H,15,18)
InChIKeyHHLACIBLRFVULC-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.22
Rot. Bonds4

About 3-chloro-2,2-dimethyl-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)propanamide

3-chloro-2,2-dimethyl-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)propanamide (PubChem CID 90569484) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)propanamide
PubChem CID90569484
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name3-chloro-2,2-dimethyl-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)propanamide
SMILESCC(C)(CCl)C(=O)NCc1cc2ccccn2n1
InChIInChI=1S/C13H16ClN3O/c1-13(2,9-14)12(18)15-8-10-7-11-5-3-4-6-17(11)16-10/h3-7H,8-9H2,1-2H3,(H,15,18)
InChIKeyHHLACIBLRFVULC-UHFFFAOYSA-N
XLogP2.22
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)propanamide (CID 90569484) is 3-chloro-2,2-dimethyl-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)propanamide is CC(C)(CCl)C(=O)NCc1cc2ccccn2n1.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)propanamide?
The InChIKey is HHLACIBLRFVULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-13(2,9-14)12(18)15-8-10-7-11-5-3-4-6-17(11)16-10/h3-7H,8-9H2,1-2H3,(H,15,18).
What are the key properties of 3-chloro-2,2-dimethyl-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)propanamide?
3-chloro-2,2-dimethyl-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)propanamide has a molecular weight of 265.74 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 90569484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).