N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-naphthalen-1-ylacetamide

C24H24N6O — CID 122326850

IUPACN-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-naphthalen-1-ylacetamide
SMILESCc1ccc(Nc2ccc(NCCNC(=O)Cc3cccc4ccccc34)nn2)nc1
InChIInChI=1S/C24H24N6O/c1-17-9-10-21(27-16-17)28-23-12-11-22(29-30-23)25-13-14-26-24(31)15-19-7-4-6-18-5-2-3-8-20(18)19/h2-12,16H,13-15H2,1H3,(H,25,29)(H,26,31)(H,27,28,30)
InChIKeyORRSNKWSWOAXIR-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.85
Rot. Bonds8

About N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-naphthalen-1-ylacetamide

N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-naphthalen-1-ylacetamide (PubChem CID 122326850) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-naphthalen-1-ylacetamide
PubChem CID122326850
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC NameN-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-naphthalen-1-ylacetamide
SMILESCc1ccc(Nc2ccc(NCCNC(=O)Cc3cccc4ccccc34)nn2)nc1
InChIInChI=1S/C24H24N6O/c1-17-9-10-21(27-16-17)28-23-12-11-22(29-30-23)25-13-14-26-24(31)15-19-7-4-6-18-5-2-3-8-20(18)19/h2-12,16H,13-15H2,1H3,(H,25,29)(H,26,31)(H,27,28,30)
InChIKeyORRSNKWSWOAXIR-UHFFFAOYSA-N
XLogP3.85
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
CID 70702534
3-(3-chlorophenyl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide
CID 122326910
5-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazine-2-carboxamide
CID 122326959
(E)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-phenylprop-2-enamide
CID 122326707
2-(1,3-dioxoisoindol-2-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide
CID 122326923
2-(1-methylindol-3-yl)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 122288924
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 56919617
4-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 122326956
2-(2-chlorophenyl)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 122288805
2-(2-fluorophenyl)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 122288882
1,3,5-trimethyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazole-4-carboxamide
CID 122326916
2-(4,5-dimethyl-6-oxopyrimidin-1-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]acetamide
CID 122326929

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-naphthalen-1-ylacetamide (CID 122326850) is N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-naphthalen-1-ylacetamide is Cc1ccc(Nc2ccc(NCCNC(=O)Cc3cccc4ccccc34)nn2)nc1.
What is the InChIKey of N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-naphthalen-1-ylacetamide?
The InChIKey is ORRSNKWSWOAXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-17-9-10-21(27-16-17)28-23-12-11-22(29-30-23)25-13-14-26-24(31)15-19-7-4-6-18-5-2-3-8-20(18)19/h2-12,16H,13-15H2,1H3,(H,25,29)(H,26,31)(H,27,28,30).
What are the key properties of N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-naphthalen-1-ylacetamide?
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 412.50 g/mol, XLogP of 3.85, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 122326850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).