3-(3-chlorophenyl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide

C21H23ClN6O — CID 122326910

IUPAC3-(3-chlorophenyl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide
SMILESCc1ccc(Nc2ccc(NCCNC(=O)CCc3cccc(Cl)c3)nn2)nc1
InChIInChI=1S/C21H23ClN6O/c1-15-5-7-18(25-14-15)26-20-9-8-19(27-28-20)23-11-12-24-21(29)10-6-16-3-2-4-17(22)13-16/h2-5,7-9,13-14H,6,10-12H2,1H3,(H,23,27)(H,24,29)(H,25,26,28)
InChIKeyFSUBEZJNJWZUPV-UHFFFAOYSA-N
MW410.91 g/mol
LogP3.74
Rot. Bonds9

About 3-(3-chlorophenyl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide

3-(3-chlorophenyl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide (PubChem CID 122326910) has the molecular formula C21H23ClN6O and a molecular weight of 410.91 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide
PubChem CID122326910
Molecular FormulaC21H23ClN6O
Molecular Weight410.91 g/mol
Exact Mass410.16
IUPAC Name3-(3-chlorophenyl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide
SMILESCc1ccc(Nc2ccc(NCCNC(=O)CCc3cccc(Cl)c3)nn2)nc1
InChIInChI=1S/C21H23ClN6O/c1-15-5-7-18(25-14-15)26-20-9-8-19(27-28-20)23-11-12-24-21(29)10-6-16-3-2-4-17(22)13-16/h2-5,7-9,13-14H,6,10-12H2,1H3,(H,23,27)(H,24,29)(H,25,26,28)
InChIKeyFSUBEZJNJWZUPV-UHFFFAOYSA-N
XLogP3.74
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 53.74
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

3-(3-chlorophenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]propanamide
CID 122314750
3-(3-chlorophenyl)-1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 122351435
3-(3-chlorophenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide
CID 122292804
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-naphthalen-1-ylacetamide
CID 122326850
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
CID 70702534
3-(3-methylphenyl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide
CID 122292805
N-[6-[2-(3-chlorophenyl)ethylamino]pyridazin-3-yl]propanamide
CID 113045233
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-pyrazol-1-ylbenzamide
CID 122326948
N-(2-aminoethyl)-3-(3-chlorophenyl)propanamide
CID 94684838
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
N-[5-[2-(3-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113031036
(E)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-phenylprop-2-enamide
CID 122326707

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide (CID 122326910) is 3-(3-chlorophenyl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide is Cc1ccc(Nc2ccc(NCCNC(=O)CCc3cccc(Cl)c3)nn2)nc1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide?
The InChIKey is FSUBEZJNJWZUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6O/c1-15-5-7-18(25-14-15)26-20-9-8-19(27-28-20)23-11-12-24-21(29)10-6-16-3-2-4-17(22)13-16/h2-5,7-9,13-14H,6,10-12H2,1H3,(H,23,27)(H,24,29)(H,25,26,28).
What are the key properties of 3-(3-chlorophenyl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide?
3-(3-chlorophenyl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide has a molecular weight of 410.91 g/mol, XLogP of 3.74, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide is sourced from PubChem (CID 122326910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).