5-chloro-6-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide

C18H20ClN3O2 — CID 133394689

IUPAC5-chloro-6-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
SMILESCCCOc1ccc2c(c1)CCN(c1ncc(C(N)=O)cc1Cl)C2
InChIInChI=1S/C18H20ClN3O2/c1-2-7-24-15-4-3-13-11-22(6-5-12(13)8-15)18-16(19)9-14(10-21-18)17(20)23/h3-4,8-10H,2,5-7,11H2,1H3,(H2,20,23)
InChIKeyOIZBHNDFRKKUTQ-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.19
Rot. Bonds5

About 5-chloro-6-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide

5-chloro-6-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide (PubChem CID 133394689) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 5-chloro-6-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
PubChem CID133394689
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name5-chloro-6-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
SMILESCCCOc1ccc2c(c1)CCN(c1ncc(C(N)=O)cc1Cl)C2
InChIInChI=1S/C18H20ClN3O2/c1-2-7-24-15-4-3-13-11-22(6-5-12(13)8-15)18-16(19)9-14(10-21-18)17(20)23/h3-4,8-10H,2,5-7,11H2,1H3,(H2,20,23)
InChIKeyOIZBHNDFRKKUTQ-UHFFFAOYSA-N
XLogP3.19
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide (CID 133394689) is 5-chloro-6-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide is CCCOc1ccc2c(c1)CCN(c1ncc(C(N)=O)cc1Cl)C2.
What is the InChIKey of 5-chloro-6-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide?
The InChIKey is OIZBHNDFRKKUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-2-7-24-15-4-3-13-11-22(6-5-12(13)8-15)18-16(19)9-14(10-21-18)17(20)23/h3-4,8-10H,2,5-7,11H2,1H3,(H2,20,23).
What are the key properties of 5-chloro-6-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide?
5-chloro-6-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(6-propoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133394689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).