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

C19H17N3O2 — CID 57411093

IUPACN-[7-[4-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc2ccc(-c3cnccc3CO)cc2cn1)C1CC1
InChIInChI=1S/C19H17N3O2/c23-11-15-5-6-20-10-17(15)14-4-3-13-8-18(21-9-16(13)7-14)22-19(24)12-1-2-12/h3-10,12,23H,1-2,11H2,(H,21,22,24)
InChIKeyICAPSJXNOGXIGH-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.14
Rot. Bonds4

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

N-[7-[4-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 57411093) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[7-[4-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-[4-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID57411093
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-[7-[4-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc2ccc(-c3cnccc3CO)cc2cn1)C1CC1
InChIInChI=1S/C19H17N3O2/c23-11-15-5-6-20-10-17(15)14-4-3-13-8-18(21-9-16(13)7-14)22-19(24)12-1-2-12/h3-10,12,23H,1-2,11H2,(H,21,22,24)
InChIKeyICAPSJXNOGXIGH-UHFFFAOYSA-N
XLogP3.14
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[7-[4-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-[4-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide (CID 57411093) is N-[7-[4-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-[4-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-[4-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide is O=C(Nc1cc2ccc(-c3cnccc3CO)cc2cn1)C1CC1.
What is the InChIKey of N-[7-[4-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is ICAPSJXNOGXIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-11-15-5-6-20-10-17(15)14-4-3-13-8-18(21-9-16(13)7-14)22-19(24)12-1-2-12/h3-10,12,23H,1-2,11H2,(H,21,22,24).
What are the key properties of N-[7-[4-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide?
N-[7-[4-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 319.36 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[4-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 57411093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).