N-[7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide

C22H23N3O2 — CID 67976245

IUPACN-[7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1cc(C(C)(C)O)ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C22H23N3O2/c1-13-8-19(22(2,3)27)23-12-18(13)16-7-6-15-10-20(24-11-17(15)9-16)25-21(26)14-4-5-14/h6-12,14,27H,4-5H2,1-3H3,(H,24,25,26)
InChIKeyAMHARFPWEABOCW-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.18
Rot. Bonds4

About N-[7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide

N-[7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 67976245) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID67976245
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1cc(C(C)(C)O)ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C22H23N3O2/c1-13-8-19(22(2,3)27)23-12-18(13)16-7-6-15-10-20(24-11-17(15)9-16)25-21(26)14-4-5-14/h6-12,14,27H,4-5H2,1-3H3,(H,24,25,26)
InChIKeyAMHARFPWEABOCW-UHFFFAOYSA-N
XLogP4.18
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide (CID 67976245) is N-[7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide is Cc1cc(C(C)(C)O)ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1.
What is the InChIKey of N-[7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is AMHARFPWEABOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-13-8-19(22(2,3)27)23-12-18(13)16-7-6-15-10-20(24-11-17(15)9-16)25-21(26)14-4-5-14/h6-12,14,27H,4-5H2,1-3H3,(H,24,25,26).
What are the key properties of N-[7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide?
N-[7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[6-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 67976245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).