N-[[4-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]phenyl]methyl]acetamide

C14H15ClN4O2 — CID 164629145

IUPACN-[[4-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(Nc2cnn(C)c(=O)c2Cl)cc1
InChIInChI=1S/C14H15ClN4O2/c1-9(20)16-7-10-3-5-11(6-4-10)18-12-8-17-19(2)14(21)13(12)15/h3-6,8,18H,7H2,1-2H3,(H,16,20)
InChIKeyAOJUBDPMUVUQJE-UHFFFAOYSA-N
MW306.75 g/mol
LogP1.81
Rot. Bonds4

About N-[[4-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]phenyl]methyl]acetamide

N-[[4-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]phenyl]methyl]acetamide (PubChem CID 164629145) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is N-[[4-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]phenyl]methyl]acetamide
PubChem CID164629145
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC NameN-[[4-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(Nc2cnn(C)c(=O)c2Cl)cc1
InChIInChI=1S/C14H15ClN4O2/c1-9(20)16-7-10-3-5-11(6-4-10)18-12-8-17-19(2)14(21)13(12)15/h3-6,8,18H,7H2,1-2H3,(H,16,20)
InChIKeyAOJUBDPMUVUQJE-UHFFFAOYSA-N
XLogP1.81
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]phenyl]methyl]acetamide (CID 164629145) is N-[[4-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]phenyl]methyl]acetamide is CC(=O)NCc1ccc(Nc2cnn(C)c(=O)c2Cl)cc1.
What is the InChIKey of N-[[4-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]phenyl]methyl]acetamide?
The InChIKey is AOJUBDPMUVUQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-9(20)16-7-10-3-5-11(6-4-10)18-12-8-17-19(2)14(21)13(12)15/h3-6,8,18H,7H2,1-2H3,(H,16,20).
What are the key properties of N-[[4-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]phenyl]methyl]acetamide?
N-[[4-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]phenyl]methyl]acetamide has a molecular weight of 306.75 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]phenyl]methyl]acetamide is sourced from PubChem (CID 164629145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).