N-[7-[2-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide

C20H19N3O2 — CID 71115343

IUPACN-[7-[2-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1ccnc(CO)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C20H19N3O2/c1-12-6-7-21-17(11-24)19(12)15-5-4-14-9-18(22-10-16(14)8-15)23-20(25)13-2-3-13/h4-10,13,24H,2-3,11H2,1H3,(H,22,23,25)
InChIKeyFMCNJEWIGMRIMB-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.45
Rot. Bonds4

About N-[7-[2-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide

N-[7-[2-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 71115343) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[7-[2-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-[2-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID71115343
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-[7-[2-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1ccnc(CO)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C20H19N3O2/c1-12-6-7-21-17(11-24)19(12)15-5-4-14-9-18(22-10-16(14)8-15)23-20(25)13-2-3-13/h4-10,13,24H,2-3,11H2,1H3,(H,22,23,25)
InChIKeyFMCNJEWIGMRIMB-UHFFFAOYSA-N
XLogP3.45
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[7-[2-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-[2-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide (CID 71115343) is N-[7-[2-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-[2-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-[2-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide is Cc1ccnc(CO)c1-c1ccc2cc(NC(=O)C3CC3)ncc2c1.
What is the InChIKey of N-[7-[2-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is FMCNJEWIGMRIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-12-6-7-21-17(11-24)19(12)15-5-4-14-9-18(22-10-16(14)8-15)23-20(25)13-2-3-13/h4-10,13,24H,2-3,11H2,1H3,(H,22,23,25).
What are the key properties of N-[7-[2-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide?
N-[7-[2-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[2-(hydroxymethyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 71115343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).