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

C23H28ClN5O3 — CID 142690443

IUPACN-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[2-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-5-ethyl-3-oxopyridazin-4-yl]acetamide
SMILESCCc1cnn(CCc2nc(C)oc2C)c(=O)c1CC(=O)NCc1cc(Cl)ccc1CN
InChIInChI=1S/C23H28ClN5O3/c1-4-16-13-27-29(8-7-21-14(2)32-15(3)28-21)23(31)20(16)10-22(30)26-12-18-9-19(24)6-5-17(18)11-25/h5-6,9,13H,4,7-8,10-12,25H2,1-3H3,(H,26,30)
InChIKeyZCHWPCZSIZXOMU-UHFFFAOYSA-N
MW457.96 g/mol
LogP2.62
Rot. Bonds9

About 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

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 (PubChem CID 142690443) has the molecular formula C23H28ClN5O3 and a molecular weight of 457.96 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[2-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-5-ethyl-3-oxopyridazin-4-yl]acetamide
PubChem CID142690443
Molecular FormulaC23H28ClN5O3
Molecular Weight457.96 g/mol
Exact Mass457.19
IUPAC NameN-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[2-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-5-ethyl-3-oxopyridazin-4-yl]acetamide
SMILESCCc1cnn(CCc2nc(C)oc2C)c(=O)c1CC(=O)NCc1cc(Cl)ccc1CN
InChIInChI=1S/C23H28ClN5O3/c1-4-16-13-27-29(8-7-21-14(2)32-15(3)28-21)23(31)20(16)10-22(30)26-12-18-9-19(24)6-5-17(18)11-25/h5-6,9,13H,4,7-8,10-12,25H2,1-3H3,(H,26,30)
InChIKeyZCHWPCZSIZXOMU-UHFFFAOYSA-N
XLogP2.62
TPSA116.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.96
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-[2-[2-(4-chlorophenyl)ethyl]-5-methyl-3-oxopyridazin-4-yl]acetamide
CID 142690612
N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[5-methyl-2-[2-(6-methylpyrazin-2-yl)ethyl]-3-oxopyridazin-4-yl]acetamide
CID 142690728
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-[5-methyl-2-(2-methylsulfonylethyl)-3-oxopyridazin-4-yl]acetamide
CID 142690378
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-[4-methyl-1-[2-(4-methylpyrazol-1-yl)ethyl]-2-oxo-3-pyridinyl]acetamide
CID 142690349
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-[5-[2-[[2-(aminomethyl)-5-chlorophenyl]methylamino]-2-oxoethyl]-4-methyl-6-oxopyridazin-1-yl]ethyl]-N-phenylcyclopropanecarboxamide
CID 142690649
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-(1-aminoethylideneamino)-5-chlorophenyl]methyl]-2-[5-methyl-3-oxo-2-(2-phenylethyl)pyridazin-4-yl]acetamide
CID 142690587
tert-butyl N-[[4-chloro-2-[[[2-[1-[2-(5-chloro-2-methyl-1,3-oxazol-4-yl)ethyl]-4-methoxy-2-oxo-3-pyridinyl]acetyl]amino]methyl]phenyl]methyl]carbamate
CID 142690457

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1cnn(CCc2nc(C)oc2C)c(=O)c1CC(=O)NCc1cc(Cl)ccc1CN.
What is the InChIKey of 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?
The InChIKey is ZCHWPCZSIZXOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5O3/c1-4-16-13-27-29(8-7-21-14(2)32-15(3)28-21)23(31)20(16)10-22(30)26-12-18-9-19(24)6-5-17(18)11-25/h5-6,9,13H,4,7-8,10-12,25H2,1-3H3,(H,26,30).
What are the key properties of 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?
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 has a molecular weight of 457.96 g/mol, XLogP of 2.62, 9 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-[2-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-5-ethyl-3-oxopyridazin-4-yl]acetamide is sourced from PubChem (CID 142690443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).