N-(4-isoquinolin-7-yl-2-pyridinyl)cyclopropanecarboxamide

C18H15N3O — CID 91667413

IUPACN-(4-isoquinolin-7-yl-2-pyridinyl)cyclopropanecarboxamide
SMILESO=C(Nc1cc(-c2ccc3ccncc3c2)ccn1)C1CC1
InChIInChI=1S/C18H15N3O/c22-18(13-2-3-13)21-17-10-15(6-8-20-17)14-4-1-12-5-7-19-11-16(12)9-14/h1,4-11,13H,2-3H2,(H,20,21,22)
InChIKeyPGKFRHOTYGEBDX-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.65
Rot. Bonds3

About N-(4-isoquinolin-7-yl-2-pyridinyl)cyclopropanecarboxamide

N-(4-isoquinolin-7-yl-2-pyridinyl)cyclopropanecarboxamide (PubChem CID 91667413) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(4-isoquinolin-7-yl-2-pyridinyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(4-isoquinolin-7-yl-2-pyridinyl)cyclopropanecarboxamide
PubChem CID91667413
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC NameN-(4-isoquinolin-7-yl-2-pyridinyl)cyclopropanecarboxamide
SMILESO=C(Nc1cc(-c2ccc3ccncc3c2)ccn1)C1CC1
InChIInChI=1S/C18H15N3O/c22-18(13-2-3-13)21-17-10-15(6-8-20-17)14-4-1-12-5-7-19-11-16(12)9-14/h1,4-11,13H,2-3H2,(H,20,21,22)
InChIKeyPGKFRHOTYGEBDX-UHFFFAOYSA-N
XLogP3.65
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-isoquinolin-7-yl-2-pyridinyl)cyclopropanecarboxamide?
The IUPAC name of N-(4-isoquinolin-7-yl-2-pyridinyl)cyclopropanecarboxamide (CID 91667413) is N-(4-isoquinolin-7-yl-2-pyridinyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(4-isoquinolin-7-yl-2-pyridinyl)cyclopropanecarboxamide?
The canonical SMILES for N-(4-isoquinolin-7-yl-2-pyridinyl)cyclopropanecarboxamide is O=C(Nc1cc(-c2ccc3ccncc3c2)ccn1)C1CC1.
What is the InChIKey of N-(4-isoquinolin-7-yl-2-pyridinyl)cyclopropanecarboxamide?
The InChIKey is PGKFRHOTYGEBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c22-18(13-2-3-13)21-17-10-15(6-8-20-17)14-4-1-12-5-7-19-11-16(12)9-14/h1,4-11,13H,2-3H2,(H,20,21,22).
What are the key properties of N-(4-isoquinolin-7-yl-2-pyridinyl)cyclopropanecarboxamide?
N-(4-isoquinolin-7-yl-2-pyridinyl)cyclopropanecarboxamide has a molecular weight of 289.34 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-isoquinolin-7-yl-2-pyridinyl)cyclopropanecarboxamide is sourced from PubChem (CID 91667413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).