N-(3-methoxyphenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide

C22H25N7O2 — CID 42111696

IUPACN-(3-methoxyphenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(c3ccc(Nc4cc(C)ccn4)nn3)CC2)c1
InChIInChI=1S/C22H25N7O2/c1-16-8-9-23-20(14-16)25-19-6-7-21(27-26-19)28-10-12-29(13-11-28)22(30)24-17-4-3-5-18(15-17)31-2/h3-9,14-15H,10-13H2,1-2H3,(H,24,30)(H,23,25,26)
InChIKeyBXSXZVWGLRXZIB-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.29
Rot. Bonds5

About N-(3-methoxyphenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide

N-(3-methoxyphenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide (PubChem CID 42111696) has the molecular formula C22H25N7O2 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
PubChem CID42111696
Molecular FormulaC22H25N7O2
Molecular Weight419.49 g/mol
Exact Mass419.21
IUPAC NameN-(3-methoxyphenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(c3ccc(Nc4cc(C)ccn4)nn3)CC2)c1
InChIInChI=1S/C22H25N7O2/c1-16-8-9-23-20(14-16)25-19-6-7-21(27-26-19)28-10-12-29(13-11-28)22(30)24-17-4-3-5-18(15-17)31-2/h3-9,14-15H,10-13H2,1-2H3,(H,24,30)(H,23,25,26)
InChIKeyBXSXZVWGLRXZIB-UHFFFAOYSA-N
XLogP3.29
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide (CID 42111696) is N-(3-methoxyphenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide is COc1cccc(NC(=O)N2CCN(c3ccc(Nc4cc(C)ccn4)nn3)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide?
The InChIKey is BXSXZVWGLRXZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O2/c1-16-8-9-23-20(14-16)25-19-6-7-21(27-26-19)28-10-12-29(13-11-28)22(30)24-17-4-3-5-18(15-17)31-2/h3-9,14-15H,10-13H2,1-2H3,(H,24,30)(H,23,25,26).
What are the key properties of N-(3-methoxyphenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide?
N-(3-methoxyphenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 42111696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).