(E)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-phenylprop-2-enamide

C21H22N6O — CID 122326707

IUPAC(E)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-phenylprop-2-enamide
SMILESCc1ccc(Nc2ccc(NCCNC(=O)/C=C/c3ccccc3)nn2)nc1
InChIInChI=1S/C21H22N6O/c1-16-7-9-18(24-15-16)25-20-11-10-19(26-27-20)22-13-14-23-21(28)12-8-17-5-3-2-4-6-17/h2-12,15H,13-14H2,1H3,(H,22,26)(H,23,28)(H,24,25,27)/b12-8+
InChIKeyNVLIYEIAAXEQTF-XYOKQWHBSA-N
MW374.45 g/mol
LogP3.17
Rot. Bonds8

About (E)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-phenylprop-2-enamide

(E)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-phenylprop-2-enamide (PubChem CID 122326707) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is (E)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-phenylprop-2-enamide
PubChem CID122326707
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name(E)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-phenylprop-2-enamide
SMILESCc1ccc(Nc2ccc(NCCNC(=O)/C=C/c3ccccc3)nn2)nc1
InChIInChI=1S/C21H22N6O/c1-16-7-9-18(24-15-16)25-20-11-10-19(26-27-20)22-13-14-23-21(28)12-8-17-5-3-2-4-6-17/h2-12,15H,13-14H2,1H3,(H,22,26)(H,23,28)(H,24,25,27)/b12-8+
InChIKeyNVLIYEIAAXEQTF-XYOKQWHBSA-N
XLogP3.17
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-naphthalen-1-ylacetamide
CID 122326850
(E)-3-phenyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]prop-2-enamide
CID 122323633
(E)-3-(2-methylphenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]prop-2-enamide
CID 122288698
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
5-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyrazine-2-carboxamide
CID 122326959
2-(1,3-dioxoisoindol-2-yl)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]propanamide
CID 122326923
(E)-3-(2-fluorophenyl)-N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]prop-2-enamide
CID 122288699
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
(E)-3-(1,3-benzodioxol-5-yl)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]prop-2-enamide
CID 122288831
(E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 2180886

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-phenylprop-2-enamide (CID 122326707) is (E)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-phenylprop-2-enamide is Cc1ccc(Nc2ccc(NCCNC(=O)/C=C/c3ccccc3)nn2)nc1.
What is the InChIKey of (E)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-phenylprop-2-enamide?
The InChIKey is NVLIYEIAAXEQTF-XYOKQWHBSA-N. The full InChI is InChI=1S/C21H22N6O/c1-16-7-9-18(24-15-16)25-20-11-10-19(26-27-20)22-13-14-23-21(28)12-8-17-5-3-2-4-6-17/h2-12,15H,13-14H2,1H3,(H,22,26)(H,23,28)(H,24,25,27)/b12-8+.
What are the key properties of (E)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-phenylprop-2-enamide?
(E)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-phenylprop-2-enamide has a molecular weight of 374.45 g/mol, XLogP of 3.17, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 122326707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).