2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]imidazol-1-yl]-N,N-dimethylpropanamide

C18H20N6O2 — CID 137029445

IUPAC2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]imidazol-1-yl]-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)n1cnc(-c2cc(-c3ccccc3O)nnc2N)c1
InChIInChI=1S/C18H20N6O2/c1-11(18(26)23(2)3)24-9-15(20-10-24)13-8-14(21-22-17(13)19)12-6-4-5-7-16(12)25/h4-11,25H,1-3H3,(H2,19,22)
InChIKeyXGIUNGYDSQQQCX-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.94
Rot. Bonds4

About 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]imidazol-1-yl]-N,N-dimethylpropanamide

2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]imidazol-1-yl]-N,N-dimethylpropanamide (PubChem CID 137029445) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]imidazol-1-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]imidazol-1-yl]-N,N-dimethylpropanamide
PubChem CID137029445
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]imidazol-1-yl]-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)n1cnc(-c2cc(-c3ccccc3O)nnc2N)c1
InChIInChI=1S/C18H20N6O2/c1-11(18(26)23(2)3)24-9-15(20-10-24)13-8-14(21-22-17(13)19)12-6-4-5-7-16(12)25/h4-11,25H,1-3H3,(H2,19,22)
InChIKeyXGIUNGYDSQQQCX-UHFFFAOYSA-N
XLogP1.94
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-Ethyl-3-[5-(2-hydroxyphenyl)-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl]urea
CID 136184117
4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-5-(2-hydroxyphenyl)-1H-imidazole-2-carboxamide
CID 155537377
5-(1-Methylpyrazol-4-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
CID 139536927
2-Imidazo[1,2-b]pyridazin-3-ylphenol
CID 136013476
5-Fluoro-2-[[[3-(1-methylimidazol-4-yl)-2-pyridinyl]amino]methyl]phenol
CID 171807266
2-[6-(Methylamino) imidazo[1,2-b]pyridazin-3-yl]phenol
CID 136282900
US10308614, Example 118
CID 137029369
US10308614, Example 194
CID 137029392
US10308614, Example 43
CID 137029407
US10308614, Example 195
CID 137029427
US10308614, Example 196
CID 137029428
US10308614, Example 93
CID 137029458

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]imidazol-1-yl]-N,N-dimethylpropanamide?
The IUPAC name of 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]imidazol-1-yl]-N,N-dimethylpropanamide (CID 137029445) is 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]imidazol-1-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]imidazol-1-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]imidazol-1-yl]-N,N-dimethylpropanamide is CC(C(=O)N(C)C)n1cnc(-c2cc(-c3ccccc3O)nnc2N)c1.
What is the InChIKey of 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]imidazol-1-yl]-N,N-dimethylpropanamide?
The InChIKey is XGIUNGYDSQQQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-11(18(26)23(2)3)24-9-15(20-10-24)13-8-14(21-22-17(13)19)12-6-4-5-7-16(12)25/h4-11,25H,1-3H3,(H2,19,22).
What are the key properties of 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]imidazol-1-yl]-N,N-dimethylpropanamide?
2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]imidazol-1-yl]-N,N-dimethylpropanamide has a molecular weight of 352.40 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]imidazol-1-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 137029445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).