N-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-[4-cyano-2-oxo-1-(2-pyridin-2-ylethyl)-3-pyridinyl]acetamide

C24H24ClN5O2 — CID 142690586

IUPACN-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-[4-cyano-2-oxo-1-(2-pyridin-2-ylethyl)-3-pyridinyl]acetamide
SMILESCNCc1ccc(Cl)cc1CNC(=O)Cc1c(C#N)ccn(CCc2ccccn2)c1=O
InChIInChI=1S/C24H24ClN5O2/c1-27-15-18-5-6-20(25)12-19(18)16-29-23(31)13-22-17(14-26)7-10-30(24(22)32)11-8-21-4-2-3-9-28-21/h2-7,9-10,12,27H,8,11,13,15-16H2,1H3,(H,29,31)
InChIKeyAGIGPZMFJOKWRH-UHFFFAOYSA-N
MW449.94 g/mol
LogP2.59
Rot. Bonds9

About N-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-[4-cyano-2-oxo-1-(2-pyridin-2-ylethyl)-3-pyridinyl]acetamide

N-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-[4-cyano-2-oxo-1-(2-pyridin-2-ylethyl)-3-pyridinyl]acetamide (PubChem CID 142690586) has the molecular formula C24H24ClN5O2 and a molecular weight of 449.94 g/mol. Its IUPAC name is N-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-[4-cyano-2-oxo-1-(2-pyridin-2-ylethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-[4-cyano-2-oxo-1-(2-pyridin-2-ylethyl)-3-pyridinyl]acetamide
PubChem CID142690586
Molecular FormulaC24H24ClN5O2
Molecular Weight449.94 g/mol
Exact Mass449.16
IUPAC NameN-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-[4-cyano-2-oxo-1-(2-pyridin-2-ylethyl)-3-pyridinyl]acetamide
SMILESCNCc1ccc(Cl)cc1CNC(=O)Cc1c(C#N)ccn(CCc2ccccn2)c1=O
InChIInChI=1S/C24H24ClN5O2/c1-27-15-18-5-6-20(25)12-19(18)16-29-23(31)13-22-17(14-26)7-10-30(24(22)32)11-8-21-4-2-3-9-28-21/h2-7,9-10,12,27H,8,11,13,15-16H2,1H3,(H,29,31)
InChIKeyAGIGPZMFJOKWRH-UHFFFAOYSA-N
XLogP2.59
TPSA99.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-[4-cyano-2-oxo-1-(2-pyridin-2-ylethyl)-3-pyridinyl]acetamide with MolForge

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Related Compounds

N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-methyl-3-oxo-2-(2-pyridin-2-ylethyl)pyridazin-4-yl]acetamide
CID 142690318
N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[4-methyl-2-oxo-1-(2-pyrazol-1-ylethyl)-3-pyridinyl]acetamide
CID 142690753
N-[2-[3-[2-[[5-chloro-2-(methylaminomethyl)phenyl]methylamino]-2-oxoethyl]-4-methyl-2-oxo-1-pyridinyl]ethyl]-N-phenylcyclopropanecarboxamide
CID 142690623
N-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-[4-methyl-1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-oxo-3-pyridinyl]acetamide
CID 142690658
N-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-[5-methyl-3-oxo-2-(2-pyrazol-1-ylethyl)pyridazin-4-yl]acetamide
CID 142690440
2-(4-chloro-2-methylphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 67968189
N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[4-methyl-1-[2-(3-methylpyrazol-1-yl)ethyl]-2-oxo-3-pyridinyl]acetamide
CID 142690766
N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[1-[2-(2-tert-butyl-1,3-oxazol-4-yl)ethyl]-4-methyl-2-oxo-3-pyridinyl]acetamide
CID 142690741
tert-butyl N-[[4-chloro-2-[[[2-[1-[2-(2,4-dimethylpyrrol-1-yl)ethyl]-4-methyl-2-oxo-3-pyridinyl]acetyl]amino]methyl]phenyl]methyl]carbamate
CID 142690671
2-[5-chloro-2-[2-(4-chloropyrazol-1-yl)ethyl]-3-oxopyridazin-4-yl]-N-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]acetamide
CID 142690401
N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[4-methyl-1-[2-(4-methylpyrazol-1-yl)ethyl]-2-oxo-3-pyridinyl]acetamide
CID 142690349
N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[1-(benzenesulfonylmethyl)-4-methyl-2-oxo-3-pyridinyl]acetamide
CID 142690673

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-[4-cyano-2-oxo-1-(2-pyridin-2-ylethyl)-3-pyridinyl]acetamide?
The IUPAC name of N-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-[4-cyano-2-oxo-1-(2-pyridin-2-ylethyl)-3-pyridinyl]acetamide (CID 142690586) is N-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-[4-cyano-2-oxo-1-(2-pyridin-2-ylethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-[4-cyano-2-oxo-1-(2-pyridin-2-ylethyl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-[4-cyano-2-oxo-1-(2-pyridin-2-ylethyl)-3-pyridinyl]acetamide is CNCc1ccc(Cl)cc1CNC(=O)Cc1c(C#N)ccn(CCc2ccccn2)c1=O.
What is the InChIKey of N-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-[4-cyano-2-oxo-1-(2-pyridin-2-ylethyl)-3-pyridinyl]acetamide?
The InChIKey is AGIGPZMFJOKWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O2/c1-27-15-18-5-6-20(25)12-19(18)16-29-23(31)13-22-17(14-26)7-10-30(24(22)32)11-8-21-4-2-3-9-28-21/h2-7,9-10,12,27H,8,11,13,15-16H2,1H3,(H,29,31).
What are the key properties of N-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-[4-cyano-2-oxo-1-(2-pyridin-2-ylethyl)-3-pyridinyl]acetamide?
N-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-[4-cyano-2-oxo-1-(2-pyridin-2-ylethyl)-3-pyridinyl]acetamide has a molecular weight of 449.94 g/mol, XLogP of 2.59, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-[4-cyano-2-oxo-1-(2-pyridin-2-ylethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 142690586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).