3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyridine-4-carboxamide

C15H14ClN3O — CID 105062327

IUPAC3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1ccc2c(c1)CNC2)c1ccncc1Cl
InChIInChI=1S/C15H14ClN3O/c16-14-9-17-4-3-13(14)15(20)19-6-10-1-2-11-7-18-8-12(11)5-10/h1-5,9,18H,6-8H2,(H,19,20)
InChIKeyPFEZSDXKKAIFMD-UHFFFAOYSA-N
MW287.75 g/mol
LogP2.27
Rot. Bonds3

About 3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyridine-4-carboxamide

3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyridine-4-carboxamide (PubChem CID 105062327) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyridine-4-carboxamide
PubChem CID105062327
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1ccc2c(c1)CNC2)c1ccncc1Cl
InChIInChI=1S/C15H14ClN3O/c16-14-9-17-4-3-13(14)15(20)19-6-10-1-2-11-7-18-8-12(11)5-10/h1-5,9,18H,6-8H2,(H,19,20)
InChIKeyPFEZSDXKKAIFMD-UHFFFAOYSA-N
XLogP2.27
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyridine-4-carboxamide (CID 105062327) is 3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyridine-4-carboxamide is O=C(NCc1ccc2c(c1)CNC2)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyridine-4-carboxamide?
The InChIKey is PFEZSDXKKAIFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c16-14-9-17-4-3-13(14)15(20)19-6-10-1-2-11-7-18-8-12(11)5-10/h1-5,9,18H,6-8H2,(H,19,20).
What are the key properties of 3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyridine-4-carboxamide?
3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyridine-4-carboxamide has a molecular weight of 287.75 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 105062327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).