N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-methyl-2-[2-(6-methylpyrazin-2-yl)ethyl]-3-oxopyridazin-4-yl]acetamide

C22H25ClN6O2 — CID 142690728

IUPACN-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-methyl-2-[2-(6-methylpyrazin-2-yl)ethyl]-3-oxopyridazin-4-yl]acetamide
SMILESCc1cncc(CCn2ncc(C)c(CC(=O)NCc3cc(Cl)ccc3CN)c2=O)n1
InChIInChI=1S/C22H25ClN6O2/c1-14-10-27-29(6-5-19-13-25-11-15(2)28-19)22(31)20(14)8-21(30)26-12-17-7-18(23)4-3-16(17)9-24/h3-4,7,10-11,13H,5-6,8-9,12,24H2,1-2H3,(H,26,30)
InChIKeyAZUQDQHHXOJMQI-UHFFFAOYSA-N
MW440.94 g/mol
LogP1.86
Rot. Bonds8

About N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-methyl-2-[2-(6-methylpyrazin-2-yl)ethyl]-3-oxopyridazin-4-yl]acetamide

N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-methyl-2-[2-(6-methylpyrazin-2-yl)ethyl]-3-oxopyridazin-4-yl]acetamide (PubChem CID 142690728) has the molecular formula C22H25ClN6O2 and a molecular weight of 440.94 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-methyl-2-[2-(6-methylpyrazin-2-yl)ethyl]-3-oxopyridazin-4-yl]acetamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-methyl-2-[2-(6-methylpyrazin-2-yl)ethyl]-3-oxopyridazin-4-yl]acetamide
PubChem CID142690728
Molecular FormulaC22H25ClN6O2
Molecular Weight440.94 g/mol
Exact Mass440.17
IUPAC NameN-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-methyl-2-[2-(6-methylpyrazin-2-yl)ethyl]-3-oxopyridazin-4-yl]acetamide
SMILESCc1cncc(CCn2ncc(C)c(CC(=O)NCc3cc(Cl)ccc3CN)c2=O)n1
InChIInChI=1S/C22H25ClN6O2/c1-14-10-27-29(6-5-19-13-25-11-15(2)28-19)22(31)20(14)8-21(30)26-12-17-7-18(23)4-3-16(17)9-24/h3-4,7,10-11,13H,5-6,8-9,12,24H2,1-2H3,(H,26,30)
InChIKeyAZUQDQHHXOJMQI-UHFFFAOYSA-N
XLogP1.86
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.94
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[2-[2-(4-chlorophenyl)ethyl]-5-methyl-3-oxopyridazin-4-yl]acetamide
CID 142690612
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-[2-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-5-methyl-3-oxopyridazin-4-yl]acetamide
CID 142690576
N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-methyl-2-(2-methylsulfonylethyl)-3-oxopyridazin-4-yl]acetamide
CID 142690378
N-[2-[5-[2-[[2-(aminomethyl)-5-chlorophenyl]methylamino]-2-oxoethyl]-4-methyl-6-oxopyridazin-1-yl]ethyl]-N-phenylcyclopropanecarboxamide
CID 142690649
N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[2-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-5-ethyl-3-oxopyridazin-4-yl]acetamide
CID 142690443
N-[[2-(1-aminoethylideneamino)-5-chlorophenyl]methyl]-2-[5-methyl-3-oxo-2-(2-phenylethyl)pyridazin-4-yl]acetamide
CID 142690587
N-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-[5-methyl-3-oxo-2-(2-pyrazol-1-ylethyl)pyridazin-4-yl]acetamide
CID 142690440
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-[4-methyl-1-[2-(3-methylpyrazol-1-yl)ethyl]-2-oxo-3-pyridinyl]acetamide
CID 142690766
N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[4-methyl-2-oxo-1-(2-pyrazol-1-ylethyl)-3-pyridinyl]acetamide
CID 142690753
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

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-methyl-2-[2-(6-methylpyrazin-2-yl)ethyl]-3-oxopyridazin-4-yl]acetamide?
The IUPAC name of N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-methyl-2-[2-(6-methylpyrazin-2-yl)ethyl]-3-oxopyridazin-4-yl]acetamide (CID 142690728) is N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-methyl-2-[2-(6-methylpyrazin-2-yl)ethyl]-3-oxopyridazin-4-yl]acetamide.
What is the SMILES notation for N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-methyl-2-[2-(6-methylpyrazin-2-yl)ethyl]-3-oxopyridazin-4-yl]acetamide?
The canonical SMILES for N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-methyl-2-[2-(6-methylpyrazin-2-yl)ethyl]-3-oxopyridazin-4-yl]acetamide is Cc1cncc(CCn2ncc(C)c(CC(=O)NCc3cc(Cl)ccc3CN)c2=O)n1.
What is the InChIKey of N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-methyl-2-[2-(6-methylpyrazin-2-yl)ethyl]-3-oxopyridazin-4-yl]acetamide?
The InChIKey is AZUQDQHHXOJMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O2/c1-14-10-27-29(6-5-19-13-25-11-15(2)28-19)22(31)20(14)8-21(30)26-12-17-7-18(23)4-3-16(17)9-24/h3-4,7,10-11,13H,5-6,8-9,12,24H2,1-2H3,(H,26,30).
What are the key properties of N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-methyl-2-[2-(6-methylpyrazin-2-yl)ethyl]-3-oxopyridazin-4-yl]acetamide?
N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-methyl-2-[2-(6-methylpyrazin-2-yl)ethyl]-3-oxopyridazin-4-yl]acetamide has a molecular weight of 440.94 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-methyl-2-[2-(6-methylpyrazin-2-yl)ethyl]-3-oxopyridazin-4-yl]acetamide is sourced from PubChem (CID 142690728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).