N-[7-(4-methoxy-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide

C19H17N3O2 — CID 57411558

IUPACN-[7-(4-methoxy-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCOc1ccncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C19H17N3O2/c1-24-17-6-7-20-11-16(17)14-5-4-13-9-18(21-10-15(13)8-14)22-19(23)12-2-3-12/h4-12H,2-3H2,1H3,(H,21,22,23)
InChIKeyBFRPJEZRSVZJTK-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.65
Rot. Bonds4

About N-[7-(4-methoxy-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide

N-[7-(4-methoxy-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 57411558) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[7-(4-methoxy-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-(4-methoxy-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID57411558
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-[7-(4-methoxy-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCOc1ccncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C19H17N3O2/c1-24-17-6-7-20-11-16(17)14-5-4-13-9-18(21-10-15(13)8-14)22-19(23)12-2-3-12/h4-12H,2-3H2,1H3,(H,21,22,23)
InChIKeyBFRPJEZRSVZJTK-UHFFFAOYSA-N
XLogP3.65
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[7-(4-methoxy-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-(4-methoxy-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide (CID 57411558) is N-[7-(4-methoxy-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-(4-methoxy-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-(4-methoxy-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide is COc1ccncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1.
What is the InChIKey of N-[7-(4-methoxy-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is BFRPJEZRSVZJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-24-17-6-7-20-11-16(17)14-5-4-13-9-18(21-10-15(13)8-14)22-19(23)12-2-3-12/h4-12H,2-3H2,1H3,(H,21,22,23).
What are the key properties of N-[7-(4-methoxy-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide?
N-[7-(4-methoxy-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 319.36 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-methoxy-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 57411558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).