N-[7-[6-(hydroxymethyl)-4-methyl-1,2-dihydropyridin-3-yl]isoquinolin-3-yl]cyclopropanecarboxamide

C20H21N3O2 — CID 129169972

IUPACN-[7-[6-(hydroxymethyl)-4-methyl-1,2-dihydropyridin-3-yl]isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCC1=C(c2ccc3cc(NC(=O)C4CC4)ncc3c2)CNC(CO)=C1
InChIInChI=1S/C20H21N3O2/c1-12-6-17(11-24)21-10-18(12)15-5-4-14-8-19(22-9-16(14)7-15)23-20(25)13-2-3-13/h4-9,13,21,24H,2-3,10-11H2,1H3,(H,22,23,25)
InChIKeyWGKPBEBKNAKRQQ-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.84
Rot. Bonds4

About N-[7-[6-(hydroxymethyl)-4-methyl-1,2-dihydropyridin-3-yl]isoquinolin-3-yl]cyclopropanecarboxamide

N-[7-[6-(hydroxymethyl)-4-methyl-1,2-dihydropyridin-3-yl]isoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 129169972) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[7-[6-(hydroxymethyl)-4-methyl-1,2-dihydropyridin-3-yl]isoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-[6-(hydroxymethyl)-4-methyl-1,2-dihydropyridin-3-yl]isoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID129169972
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[7-[6-(hydroxymethyl)-4-methyl-1,2-dihydropyridin-3-yl]isoquinolin-3-yl]cyclopropanecarboxamide
SMILESCC1=C(c2ccc3cc(NC(=O)C4CC4)ncc3c2)CNC(CO)=C1
InChIInChI=1S/C20H21N3O2/c1-12-6-17(11-24)21-10-18(12)15-5-4-14-8-19(22-9-16(14)7-15)23-20(25)13-2-3-13/h4-9,13,21,24H,2-3,10-11H2,1H3,(H,22,23,25)
InChIKeyWGKPBEBKNAKRQQ-UHFFFAOYSA-N
XLogP2.84
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[7-[6-(hydroxymethyl)-4-methyl-1,2-dihydropyridin-3-yl]isoquinolin-3-yl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[7-[4-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 57411093
N-[7-(2-amino-4-methylpyrimidin-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 71115252
N-[7-[6-(3-hydroxypropyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 67974995
N-[7-(2-methyl-5-nitrosophenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 88587707
N-[7-(1H-indazol-6-yl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 57410850
N-(7-hydroxyisoquinolin-3-yl)cyclopropanecarboxamide
CID 67975011
N-[7-(6-formyl-4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 86674946
N-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]cyclobutanecarboxamide
CID 57411211
N-[7-(4-fluoro-5-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 67974850
N-[7-[5-(2-hydroxypropan-2-yl)-2-methylphenyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 71115120
N-[7-[4-(nitrosomethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 88587711
methyl 4-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-2-fluoro-5-methylbenzoate
CID 67974657

Frequently Asked Questions

What is the IUPAC name of N-[7-[6-(hydroxymethyl)-4-methyl-1,2-dihydropyridin-3-yl]isoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-[6-(hydroxymethyl)-4-methyl-1,2-dihydropyridin-3-yl]isoquinolin-3-yl]cyclopropanecarboxamide (CID 129169972) is N-[7-[6-(hydroxymethyl)-4-methyl-1,2-dihydropyridin-3-yl]isoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-[6-(hydroxymethyl)-4-methyl-1,2-dihydropyridin-3-yl]isoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-[6-(hydroxymethyl)-4-methyl-1,2-dihydropyridin-3-yl]isoquinolin-3-yl]cyclopropanecarboxamide is CC1=C(c2ccc3cc(NC(=O)C4CC4)ncc3c2)CNC(CO)=C1.
What is the InChIKey of N-[7-[6-(hydroxymethyl)-4-methyl-1,2-dihydropyridin-3-yl]isoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is WGKPBEBKNAKRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-12-6-17(11-24)21-10-18(12)15-5-4-14-8-19(22-9-16(14)7-15)23-20(25)13-2-3-13/h4-9,13,21,24H,2-3,10-11H2,1H3,(H,22,23,25).
What are the key properties of N-[7-[6-(hydroxymethyl)-4-methyl-1,2-dihydropyridin-3-yl]isoquinolin-3-yl]cyclopropanecarboxamide?
N-[7-[6-(hydroxymethyl)-4-methyl-1,2-dihydropyridin-3-yl]isoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[6-(hydroxymethyl)-4-methyl-1,2-dihydropyridin-3-yl]isoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 129169972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).