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

C22H23N3O2 — CID 67974995

IUPACN-[7-[6-(3-hydroxypropyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1cc(CCCO)ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C22H23N3O2/c1-14-9-19(3-2-8-26)23-13-20(14)17-7-6-16-11-21(24-12-18(16)10-17)25-22(27)15-4-5-15/h6-7,9-13,15,26H,2-5,8H2,1H3,(H,24,25,27)
InChIKeyBYHVFBDUUINCLE-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.88
Rot. Bonds6

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

N-[7-[6-(3-hydroxypropyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 67974995) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[7-[6-(3-hydroxypropyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-[6-(3-hydroxypropyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID67974995
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[7-[6-(3-hydroxypropyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCc1cc(CCCO)ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1
InChIInChI=1S/C22H23N3O2/c1-14-9-19(3-2-8-26)23-13-20(14)17-7-6-16-11-21(24-12-18(16)10-17)25-22(27)15-4-5-15/h6-7,9-13,15,26H,2-5,8H2,1H3,(H,24,25,27)
InChIKeyBYHVFBDUUINCLE-UHFFFAOYSA-N
XLogP3.88
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[7-(6-formyl-4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 86674946
N-[7-[4-methyl-6-(2-nitrosopropan-2-yl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 88587536
N-[7-(2-amino-4-methylpyrimidin-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 71115252
N-[7-(4-fluoro-5-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 67974850
N-[7-(2-methyl-5-nitrosophenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 88587707
N-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]cyclobutanecarboxamide
CID 57411211
N-[7-[5-(2-hydroxypropan-2-yl)-2-methylphenyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 71115120
methyl 4-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-2-fluoro-5-methylbenzoate
CID 67974657
N-[7-[4-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 57411093
N-[7-[6-(hydroxymethyl)-4-methyl-1,2-dihydropyridin-3-yl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 129169972
(2R)-N-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]oxolane-2-carboxamide
CID 57411209
N-[7-[2-methyl-5-[2-(oxetan-3-yl)acetyl]phenyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 157073659

Frequently Asked Questions

What is the IUPAC name of N-[7-[6-(3-hydroxypropyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-[6-(3-hydroxypropyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide (CID 67974995) is N-[7-[6-(3-hydroxypropyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-[6-(3-hydroxypropyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-[6-(3-hydroxypropyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide is Cc1cc(CCCO)ncc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1.
What is the InChIKey of N-[7-[6-(3-hydroxypropyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is BYHVFBDUUINCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-14-9-19(3-2-8-26)23-13-20(14)17-7-6-16-11-21(24-12-18(16)10-17)25-22(27)15-4-5-15/h6-7,9-13,15,26H,2-5,8H2,1H3,(H,24,25,27).
What are the key properties of N-[7-[6-(3-hydroxypropyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide?
N-[7-[6-(3-hydroxypropyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[6-(3-hydroxypropyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 67974995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).