N-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide

C22H23N3O2 — CID 71115049

IUPACN-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCC[C@H](O)c1cc(C)c(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)cn1
InChIInChI=1S/C22H23N3O2/c1-3-20(26)19-8-13(2)18(12-23-19)16-7-6-15-10-21(24-11-17(15)9-16)25-22(27)14-4-5-14/h6-12,14,20,26H,3-5H2,1-2H3,(H,24,25,27)/t20-/m0/s1
InChIKeyZVFYUIBNLRHUCH-FQEVSTJZSA-N
MW361.45 g/mol
LogP4.40
Rot. Bonds5

About N-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide

N-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 71115049) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID71115049
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCC[C@H](O)c1cc(C)c(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)cn1
InChIInChI=1S/C22H23N3O2/c1-3-20(26)19-8-13(2)18(12-23-19)16-7-6-15-10-21(24-11-17(15)9-16)25-22(27)14-4-5-14/h6-12,14,20,26H,3-5H2,1-2H3,(H,24,25,27)/t20-/m0/s1
InChIKeyZVFYUIBNLRHUCH-FQEVSTJZSA-N
XLogP4.40
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide (CID 71115049) is N-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide is CC[C@H](O)c1cc(C)c(-c2ccc3cc(NC(=O)C4CC4)ncc3c2)cn1.
What is the InChIKey of N-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is ZVFYUIBNLRHUCH-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-3-20(26)19-8-13(2)18(12-23-19)16-7-6-15-10-21(24-11-17(15)9-16)25-22(27)14-4-5-14/h6-12,14,20,26H,3-5H2,1-2H3,(H,24,25,27)/t20-/m0/s1.
What are the key properties of N-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide?
N-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 71115049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).