1-(4-chlorophenyl)-6-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-oxopyridazine-3-carboxamide

C24H27ClN4O2 — CID 46470151

IUPAC1-(4-chlorophenyl)-6-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCc2ccccc2CN(C)C(C)C)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C24H27ClN4O2/c1-16(2)28(4)15-19-8-6-5-7-18(19)14-26-24(31)23-22(30)13-17(3)29(27-23)21-11-9-20(25)10-12-21/h5-13,16H,14-15H2,1-4H3,(H,26,31)
InChIKeyBLOHNYMCJDPIJE-UHFFFAOYSA-N
MW438.96 g/mol
LogP3.96
Rot. Bonds7

About 1-(4-chlorophenyl)-6-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-oxopyridazine-3-carboxamide

1-(4-chlorophenyl)-6-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-oxopyridazine-3-carboxamide (PubChem CID 46470151) has the molecular formula C24H27ClN4O2 and a molecular weight of 438.96 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-6-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-6-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-oxopyridazine-3-carboxamide
PubChem CID46470151
Molecular FormulaC24H27ClN4O2
Molecular Weight438.96 g/mol
Exact Mass438.18
IUPAC Name1-(4-chlorophenyl)-6-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCc2ccccc2CN(C)C(C)C)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C24H27ClN4O2/c1-16(2)28(4)15-19-8-6-5-7-18(19)14-26-24(31)23-22(30)13-17(3)29(27-23)21-11-9-20(25)10-12-21/h5-13,16H,14-15H2,1-4H3,(H,26,31)
InChIKeyBLOHNYMCJDPIJE-UHFFFAOYSA-N
XLogP3.96
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-6-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-6-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-oxopyridazine-3-carboxamide (CID 46470151) is 1-(4-chlorophenyl)-6-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-6-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-6-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-oxopyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NCc2ccccc2CN(C)C(C)C)nn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-6-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-oxopyridazine-3-carboxamide?
The InChIKey is BLOHNYMCJDPIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2/c1-16(2)28(4)15-19-8-6-5-7-18(19)14-26-24(31)23-22(30)13-17(3)29(27-23)21-11-9-20(25)10-12-21/h5-13,16H,14-15H2,1-4H3,(H,26,31).
What are the key properties of 1-(4-chlorophenyl)-6-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-oxopyridazine-3-carboxamide?
1-(4-chlorophenyl)-6-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-oxopyridazine-3-carboxamide has a molecular weight of 438.96 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-6-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 46470151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).