2-[3-[[5-(2-hydroxy-4-methylphenyl)pyrido[2,3-d]pyridazin-8-yl]amino]piperidin-1-yl]acetamide

C21H24N6O2 — CID 170258922

IUPAC2-[3-[[5-(2-hydroxy-4-methylphenyl)pyrido[2,3-d]pyridazin-8-yl]amino]piperidin-1-yl]acetamide
SMILESCc1ccc(-c2nnc(NC3CCCN(CC(N)=O)C3)c3ncccc23)c(O)c1
InChIInChI=1S/C21H24N6O2/c1-13-6-7-15(17(28)10-13)19-16-5-2-8-23-20(16)21(26-25-19)24-14-4-3-9-27(11-14)12-18(22)29/h2,5-8,10,14,28H,3-4,9,11-12H2,1H3,(H2,22,29)(H,24,26)
InChIKeyNESWMSSNQKBZOF-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.07
Rot. Bonds5

About 2-[3-[[5-(2-hydroxy-4-methylphenyl)pyrido[2,3-d]pyridazin-8-yl]amino]piperidin-1-yl]acetamide

2-[3-[[5-(2-hydroxy-4-methylphenyl)pyrido[2,3-d]pyridazin-8-yl]amino]piperidin-1-yl]acetamide (PubChem CID 170258922) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[3-[[5-(2-hydroxy-4-methylphenyl)pyrido[2,3-d]pyridazin-8-yl]amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[[5-(2-hydroxy-4-methylphenyl)pyrido[2,3-d]pyridazin-8-yl]amino]piperidin-1-yl]acetamide
PubChem CID170258922
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name2-[3-[[5-(2-hydroxy-4-methylphenyl)pyrido[2,3-d]pyridazin-8-yl]amino]piperidin-1-yl]acetamide
SMILESCc1ccc(-c2nnc(NC3CCCN(CC(N)=O)C3)c3ncccc23)c(O)c1
InChIInChI=1S/C21H24N6O2/c1-13-6-7-15(17(28)10-13)19-16-5-2-8-23-20(16)21(26-25-19)24-14-4-3-9-27(11-14)12-18(22)29/h2,5-8,10,14,28H,3-4,9,11-12H2,1H3,(H2,22,29)(H,24,26)
InChIKeyNESWMSSNQKBZOF-UHFFFAOYSA-N
XLogP2.07
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[3-[[5-(2-hydroxy-4-methylphenyl)pyrido[2,3-d]pyridazin-8-yl]amino]piperidin-1-yl]acetamide with MolForge

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Related Compounds

2-[3-[[5-(4-chloro-2-hydroxyphenyl)pyrido[2,3-d]pyridazin-8-yl]amino]piperidin-1-yl]acetic acid
CID 170258976
2-[3-[[5-[3-hydroxy-5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyridazin-8-yl]amino]piperidin-1-yl]acetamide
CID 170259319
2-[3-[[8-(4-chloro-2-hydroxyphenyl)pyrido[2,3-d]pyridazin-5-yl]amino]piperidin-1-yl]acetic acid
CID 176585111
2-[3-[[8-(4-chloro-2-hydroxy-6-methylphenyl)pyrido[2,3-d]pyridazin-5-yl]amino]piperidin-1-yl]acetic acid
CID 170259070
2-[4-[[(3S)-1-ethylpiperidin-3-yl]amino]-7-methylphthalazin-1-yl]-5-methylsulfonylphenol
CID 177308718
5-methyl-2-[4-[(1-methylpiperidin-3-yl)amino]thieno[3,4-d]pyridazin-1-yl]phenol
CID 166460066
N-[(3R)-1-ethylpiperidin-3-yl]-5-(4-methylsulfonyl-2-phenylmethoxyphenyl)pyrido[2,3-d]pyridazin-8-amine
CID 174306606
2-[2-[3-[[6-(2-hydroxy-4-methylphenyl)-5-methylpyridazin-3-yl]amino]piperidin-1-yl]ethoxy]acetic acid
CID 178140824
2-[3-[[6-(3-hydroxy-5-methyl-2-pyridinyl)-4,5-dimethylpyridazin-3-yl]amino]piperidin-1-yl]acetic acid
CID 170259568
2-[7-[[(3R)-1-ethylpiperidin-3-yl]amino]pyrazolo[1,5-d][1,2,4]triazin-4-yl]-5-methylphenol
CID 171852246
2-[4-[[1-(cyclopropylmethyl)piperidin-3-yl]amino]phthalazin-1-yl]-5-methylsulfonylphenol
CID 177308729
2-[4-[[1-(2-fluoroethyl)piperidin-3-yl]amino]phthalazin-1-yl]phenol
CID 170165639

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[5-(2-hydroxy-4-methylphenyl)pyrido[2,3-d]pyridazin-8-yl]amino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[3-[[5-(2-hydroxy-4-methylphenyl)pyrido[2,3-d]pyridazin-8-yl]amino]piperidin-1-yl]acetamide (CID 170258922) is 2-[3-[[5-(2-hydroxy-4-methylphenyl)pyrido[2,3-d]pyridazin-8-yl]amino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[3-[[5-(2-hydroxy-4-methylphenyl)pyrido[2,3-d]pyridazin-8-yl]amino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[3-[[5-(2-hydroxy-4-methylphenyl)pyrido[2,3-d]pyridazin-8-yl]amino]piperidin-1-yl]acetamide is Cc1ccc(-c2nnc(NC3CCCN(CC(N)=O)C3)c3ncccc23)c(O)c1.
What is the InChIKey of 2-[3-[[5-(2-hydroxy-4-methylphenyl)pyrido[2,3-d]pyridazin-8-yl]amino]piperidin-1-yl]acetamide?
The InChIKey is NESWMSSNQKBZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-13-6-7-15(17(28)10-13)19-16-5-2-8-23-20(16)21(26-25-19)24-14-4-3-9-27(11-14)12-18(22)29/h2,5-8,10,14,28H,3-4,9,11-12H2,1H3,(H2,22,29)(H,24,26).
What are the key properties of 2-[3-[[5-(2-hydroxy-4-methylphenyl)pyrido[2,3-d]pyridazin-8-yl]amino]piperidin-1-yl]acetamide?
2-[3-[[5-(2-hydroxy-4-methylphenyl)pyrido[2,3-d]pyridazin-8-yl]amino]piperidin-1-yl]acetamide has a molecular weight of 392.46 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[5-(2-hydroxy-4-methylphenyl)pyrido[2,3-d]pyridazin-8-yl]amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 170258922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).