N-[6-[6-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide

C22H24N4O2 — CID 155489984

IUPACN-[6-[6-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2cc3cc(-c4ccc(CO)nc4)ccc3cn2)CC1
InChIInChI=1S/C22H24N4O2/c1-26-8-6-15(7-9-26)22(28)25-21-11-19-10-16(2-3-18(19)13-24-21)17-4-5-20(14-27)23-12-17/h2-5,10-13,15,27H,6-9,14H2,1H3,(H,24,25,28)
InChIKeyYJHAPABRJLZBQB-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.07
Rot. Bonds4

About N-[6-[6-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide

N-[6-[6-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide (PubChem CID 155489984) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[6-[6-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[6-[6-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide
PubChem CID155489984
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[6-[6-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2cc3cc(-c4ccc(CO)nc4)ccc3cn2)CC1
InChIInChI=1S/C22H24N4O2/c1-26-8-6-15(7-9-26)22(28)25-21-11-19-10-16(2-3-18(19)13-24-21)17-4-5-20(14-27)23-12-17/h2-5,10-13,15,27H,6-9,14H2,1H3,(H,24,25,28)
InChIKeyYJHAPABRJLZBQB-UHFFFAOYSA-N
XLogP3.07
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[6-[6-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-[6-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[6-[6-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide (CID 155489984) is N-[6-[6-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[6-[6-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[6-[6-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)Nc2cc3cc(-c4ccc(CO)nc4)ccc3cn2)CC1.
What is the InChIKey of N-[6-[6-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide?
The InChIKey is YJHAPABRJLZBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-26-8-6-15(7-9-26)22(28)25-21-11-19-10-16(2-3-18(19)13-24-21)17-4-5-20(14-27)23-12-17/h2-5,10-13,15,27H,6-9,14H2,1H3,(H,24,25,28).
What are the key properties of N-[6-[6-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide?
N-[6-[6-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[6-(hydroxymethyl)-3-pyridinyl]isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 155489984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).