N-[1-(cyclopentylmethoxy)isoquinolin-6-yl]-6-fluoropyridine-2-carboxamide

C21H20FN3O2 — CID 158497148

IUPACN-[1-(cyclopentylmethoxy)isoquinolin-6-yl]-6-fluoropyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(OCC3CCCC3)nccc2c1)c1cccc(F)n1
InChIInChI=1S/C21H20FN3O2/c22-19-7-3-6-18(25-19)20(26)24-16-8-9-17-15(12-16)10-11-23-21(17)27-13-14-4-1-2-5-14/h3,6-12,14H,1-2,4-5,13H2,(H,24,26)
InChIKeyIZGOBQQBDBEDIE-UHFFFAOYSA-N
MW365.41 g/mol
LogP4.59
Rot. Bonds5

About N-[1-(cyclopentylmethoxy)isoquinolin-6-yl]-6-fluoropyridine-2-carboxamide

N-[1-(cyclopentylmethoxy)isoquinolin-6-yl]-6-fluoropyridine-2-carboxamide (PubChem CID 158497148) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[1-(cyclopentylmethoxy)isoquinolin-6-yl]-6-fluoropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopentylmethoxy)isoquinolin-6-yl]-6-fluoropyridine-2-carboxamide
PubChem CID158497148
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC NameN-[1-(cyclopentylmethoxy)isoquinolin-6-yl]-6-fluoropyridine-2-carboxamide
SMILESO=C(Nc1ccc2c(OCC3CCCC3)nccc2c1)c1cccc(F)n1
InChIInChI=1S/C21H20FN3O2/c22-19-7-3-6-18(25-19)20(26)24-16-8-9-17-15(12-16)10-11-23-21(17)27-13-14-4-1-2-5-14/h3,6-12,14H,1-2,4-5,13H2,(H,24,26)
InChIKeyIZGOBQQBDBEDIE-UHFFFAOYSA-N
XLogP4.59
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 54.59
H-Bond Donors ≤ 51
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 N-[1-(cyclopentylmethoxy)isoquinolin-6-yl]-6-fluoropyridine-2-carboxamide?
The IUPAC name of N-[1-(cyclopentylmethoxy)isoquinolin-6-yl]-6-fluoropyridine-2-carboxamide (CID 158497148) is N-[1-(cyclopentylmethoxy)isoquinolin-6-yl]-6-fluoropyridine-2-carboxamide.
What is the SMILES notation for N-[1-(cyclopentylmethoxy)isoquinolin-6-yl]-6-fluoropyridine-2-carboxamide?
The canonical SMILES for N-[1-(cyclopentylmethoxy)isoquinolin-6-yl]-6-fluoropyridine-2-carboxamide is O=C(Nc1ccc2c(OCC3CCCC3)nccc2c1)c1cccc(F)n1.
What is the InChIKey of N-[1-(cyclopentylmethoxy)isoquinolin-6-yl]-6-fluoropyridine-2-carboxamide?
The InChIKey is IZGOBQQBDBEDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c22-19-7-3-6-18(25-19)20(26)24-16-8-9-17-15(12-16)10-11-23-21(17)27-13-14-4-1-2-5-14/h3,6-12,14H,1-2,4-5,13H2,(H,24,26).
What are the key properties of N-[1-(cyclopentylmethoxy)isoquinolin-6-yl]-6-fluoropyridine-2-carboxamide?
N-[1-(cyclopentylmethoxy)isoquinolin-6-yl]-6-fluoropyridine-2-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopentylmethoxy)isoquinolin-6-yl]-6-fluoropyridine-2-carboxamide is sourced from PubChem (CID 158497148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).