1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone

C17H18N4O2 — CID 137029564

IUPAC1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CC=C(c2cc(-c3ccccc3O)nnc2N)CC1
InChIInChI=1S/C17H18N4O2/c1-11(22)21-8-6-12(7-9-21)14-10-15(19-20-17(14)18)13-4-2-3-5-16(13)23/h2-6,10,23H,7-9H2,1H3,(H2,18,20)
InChIKeyUFEMIMKRFUWKHN-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.07
Rot. Bonds2

About 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone

1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 137029564) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID137029564
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCC(=O)N1CC=C(c2cc(-c3ccccc3O)nnc2N)CC1
InChIInChI=1S/C17H18N4O2/c1-11(22)21-8-6-12(7-9-21)14-10-15(19-20-17(14)18)13-4-2-3-5-16(13)23/h2-6,10,23H,7-9H2,1H3,(H2,18,20)
InChIKeyUFEMIMKRFUWKHN-UHFFFAOYSA-N
XLogP2.07
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone with MolForge

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Related Compounds

Gne-064
CID 137029447
Sgc-smarca-brdviii
CID 137045929
2-(6-Amino-5-phenylpyridazin-3-yl)phenol
CID 137045897
Smarca2/4-IN-2
CID 136145607
2-[6-(2-Diethylamino-2-methyl-propylamino)-4-methyl-pyridazin-3-yl]-phenol
CID 135795216
2-(6-Amino-5-phenyl-pyridazin-3-yl)-4-fluoro-phenol
CID 137029413
US10308614, Example 231
CID 137029431
2-(6-Amino-5-phenylpyridazin-3-yl)-3-fluorophenol
CID 137045915
2-(6-Amino-5-phenylpyridazin-3-yl)-6-fluorophenol
CID 137045957
2-[6-(2-Diethylamino-2-methyl-propylamino)-4-propyl-pyridazin-3-yl]-phenol
CID 136056101
2-[6-(1-Ethyl-pyrrolidin-2-ylamino)-4-methyl-pyridazin-3-yl]-phenol
CID 136056102
US10308614, Example 189
CID 137029365

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 137029564) is 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone is CC(=O)N1CC=C(c2cc(-c3ccccc3O)nnc2N)CC1.
What is the InChIKey of 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is UFEMIMKRFUWKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-11(22)21-8-6-12(7-9-21)14-10-15(19-20-17(14)18)13-4-2-3-5-16(13)23/h2-6,10,23H,7-9H2,1H3,(H2,18,20).
What are the key properties of 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone?
1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 310.36 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 137029564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).