N-methyl-4-[6-(methylamino)pyridazin-3-yl]-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide

C22H25N5O — CID 122571286

IUPACN-methyl-4-[6-(methylamino)pyridazin-3-yl]-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
SMILESCNc1ccc(-c2ccc(C(=O)N(C)C(C)Cc3cc(C)ccn3)cc2)nn1
InChIInChI=1S/C22H25N5O/c1-15-11-12-24-19(13-15)14-16(2)27(4)22(28)18-7-5-17(6-8-18)20-9-10-21(23-3)26-25-20/h5-13,16H,14H2,1-4H3,(H,23,26)
InChIKeyBPDPAVGECRBFOV-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.59
Rot. Bonds6

About N-methyl-4-[6-(methylamino)pyridazin-3-yl]-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide

N-methyl-4-[6-(methylamino)pyridazin-3-yl]-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide (PubChem CID 122571286) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-methyl-4-[6-(methylamino)pyridazin-3-yl]-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[6-(methylamino)pyridazin-3-yl]-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
PubChem CID122571286
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-methyl-4-[6-(methylamino)pyridazin-3-yl]-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
SMILESCNc1ccc(-c2ccc(C(=O)N(C)C(C)Cc3cc(C)ccn3)cc2)nn1
InChIInChI=1S/C22H25N5O/c1-15-11-12-24-19(13-15)14-16(2)27(4)22(28)18-7-5-17(6-8-18)20-9-10-21(23-3)26-25-20/h5-13,16H,14H2,1-4H3,(H,23,26)
InChIKeyBPDPAVGECRBFOV-UHFFFAOYSA-N
XLogP3.59
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[6-(methylamino)pyridazin-3-yl]-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide?
The IUPAC name of N-methyl-4-[6-(methylamino)pyridazin-3-yl]-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide (CID 122571286) is N-methyl-4-[6-(methylamino)pyridazin-3-yl]-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide.
What is the SMILES notation for N-methyl-4-[6-(methylamino)pyridazin-3-yl]-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide?
The canonical SMILES for N-methyl-4-[6-(methylamino)pyridazin-3-yl]-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide is CNc1ccc(-c2ccc(C(=O)N(C)C(C)Cc3cc(C)ccn3)cc2)nn1.
What is the InChIKey of N-methyl-4-[6-(methylamino)pyridazin-3-yl]-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide?
The InChIKey is BPDPAVGECRBFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-15-11-12-24-19(13-15)14-16(2)27(4)22(28)18-7-5-17(6-8-18)20-9-10-21(23-3)26-25-20/h5-13,16H,14H2,1-4H3,(H,23,26).
What are the key properties of N-methyl-4-[6-(methylamino)pyridazin-3-yl]-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide?
N-methyl-4-[6-(methylamino)pyridazin-3-yl]-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide has a molecular weight of 375.48 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[6-(methylamino)pyridazin-3-yl]-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide is sourced from PubChem (CID 122571286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).