N-[[6-[(4-acetyl-2-pyridinyl)methyl]quinolin-2-yl]methyl]acetamide

C20H19N3O2 — CID 163929096

IUPACN-[[6-[(4-acetyl-2-pyridinyl)methyl]quinolin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc2cc(Cc3cc(C(C)=O)ccn3)ccc2n1
InChIInChI=1S/C20H19N3O2/c1-13(24)16-7-8-21-19(11-16)10-15-3-6-20-17(9-15)4-5-18(23-20)12-22-14(2)25/h3-9,11H,10,12H2,1-2H3,(H,22,25)
InChIKeyRHDOORYOPKRKSV-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.06
Rot. Bonds5

About N-[[6-[(4-acetyl-2-pyridinyl)methyl]quinolin-2-yl]methyl]acetamide

N-[[6-[(4-acetyl-2-pyridinyl)methyl]quinolin-2-yl]methyl]acetamide (PubChem CID 163929096) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[[6-[(4-acetyl-2-pyridinyl)methyl]quinolin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-[(4-acetyl-2-pyridinyl)methyl]quinolin-2-yl]methyl]acetamide
PubChem CID163929096
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-[[6-[(4-acetyl-2-pyridinyl)methyl]quinolin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc2cc(Cc3cc(C(C)=O)ccn3)ccc2n1
InChIInChI=1S/C20H19N3O2/c1-13(24)16-7-8-21-19(11-16)10-15-3-6-20-17(9-15)4-5-18(23-20)12-22-14(2)25/h3-9,11H,10,12H2,1-2H3,(H,22,25)
InChIKeyRHDOORYOPKRKSV-UHFFFAOYSA-N
XLogP3.06
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[6-[(4-acetyl-2-pyridinyl)methyl]quinolin-2-yl]methyl]acetamide 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

[6-[[4-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]-2-pyridinyl]methyl]quinolin-2-yl]methylcarbamic acid
CID 121470559
6-[[4-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]-2-pyridinyl]methyl]quinoline-2-carboxamide
CID 118665212
2-[[(2-acetamidoacetyl)amino]methyl]pyridine-4-carboxylic acid
CID 113277490
2-(acetamidomethyl)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 112520173
N-[(4-methyl-2-pyridinyl)methyl]acetamide
CID 121378939
6-(chloromethyl)quinoline-2-carbonitrile;methyl 2-[(2-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-methylpyridine-4-carboxylate
CID 158155260
ethane;2-[(3-propan-2-ylquinolin-6-yl)methyl]pyridine-4-carboxylic acid
CID 145222399
N-[[4-(azepane-1-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112530487
2-(acetamidomethyl)-N-pyrimidin-4-ylpyridine-4-carboxamide
CID 112524302
N-[[4-(4-methylpiperazine-1-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112530383
N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide
CID 118213222
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide
CID 122354210

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(4-acetyl-2-pyridinyl)methyl]quinolin-2-yl]methyl]acetamide?
The IUPAC name of N-[[6-[(4-acetyl-2-pyridinyl)methyl]quinolin-2-yl]methyl]acetamide (CID 163929096) is N-[[6-[(4-acetyl-2-pyridinyl)methyl]quinolin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[6-[(4-acetyl-2-pyridinyl)methyl]quinolin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[6-[(4-acetyl-2-pyridinyl)methyl]quinolin-2-yl]methyl]acetamide is CC(=O)NCc1ccc2cc(Cc3cc(C(C)=O)ccn3)ccc2n1.
What is the InChIKey of N-[[6-[(4-acetyl-2-pyridinyl)methyl]quinolin-2-yl]methyl]acetamide?
The InChIKey is RHDOORYOPKRKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-13(24)16-7-8-21-19(11-16)10-15-3-6-20-17(9-15)4-5-18(23-20)12-22-14(2)25/h3-9,11H,10,12H2,1-2H3,(H,22,25).
What are the key properties of N-[[6-[(4-acetyl-2-pyridinyl)methyl]quinolin-2-yl]methyl]acetamide?
N-[[6-[(4-acetyl-2-pyridinyl)methyl]quinolin-2-yl]methyl]acetamide has a molecular weight of 333.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(4-acetyl-2-pyridinyl)methyl]quinolin-2-yl]methyl]acetamide is sourced from PubChem (CID 163929096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).