N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide

C17H20ClN5O2 — CID 2475171

IUPACN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(=O)n(C)n2)CC1
InChIInChI=1S/C17H20ClN5O2/c1-21-7-9-23(10-8-21)15-5-3-12(18)11-14(15)19-17(25)13-4-6-16(24)22(2)20-13/h3-6,11H,7-10H2,1-2H3,(H,19,25)
InChIKeyQKJDQPXQCKYJJF-UHFFFAOYSA-N
MW361.83 g/mol
LogP1.44
Rot. Bonds3

About N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 2475171) has the molecular formula C17H20ClN5O2 and a molecular weight of 361.83 g/mol. Its IUPAC name is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID2475171
Molecular FormulaC17H20ClN5O2
Molecular Weight361.83 g/mol
Exact Mass361.13
IUPAC NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(=O)n(C)n2)CC1
InChIInChI=1S/C17H20ClN5O2/c1-21-7-9-23(10-8-21)15-5-3-12(18)11-14(15)19-17(25)13-4-6-16(24)22(2)20-13/h3-6,11H,7-10H2,1-2H3,(H,19,25)
InChIKeyQKJDQPXQCKYJJF-UHFFFAOYSA-N
XLogP1.44
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 2475171) is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide is CN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(=O)n(C)n2)CC1.
What is the InChIKey of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is QKJDQPXQCKYJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O2/c1-21-7-9-23(10-8-21)15-5-3-12(18)11-14(15)19-17(25)13-4-6-16(24)22(2)20-13/h3-6,11H,7-10H2,1-2H3,(H,19,25).
What are the key properties of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 361.83 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 2475171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).