(2R,5R)-5-[[6-(4-ethyl-2-hydroxyphenyl)-5-methylpyridazin-3-yl]amino]-1-methylpiperidine-2-carboxylic acid

C20H26N4O3 — CID 178140406

IUPAC(2R,5R)-5-[[6-(4-ethyl-2-hydroxyphenyl)-5-methylpyridazin-3-yl]amino]-1-methylpiperidine-2-carboxylic acid
SMILESCCc1ccc(-c2nnc(N[C@@H]3CC[C@H](C(=O)O)N(C)C3)cc2C)c(O)c1
InChIInChI=1S/C20H26N4O3/c1-4-13-5-7-15(17(25)10-13)19-12(2)9-18(22-23-19)21-14-6-8-16(20(26)27)24(3)11-14/h5,7,9-10,14,16,25H,4,6,8,11H2,1-3H3,(H,21,22)(H,26,27)/t14-,16-/m1/s1
InChIKeySDQOQSWYHAWBKE-GDBMZVCRSA-N
MW370.45 g/mol
LogP2.68
Rot. Bonds5

About (2R,5R)-5-[[6-(4-ethyl-2-hydroxyphenyl)-5-methylpyridazin-3-yl]amino]-1-methylpiperidine-2-carboxylic acid

(2R,5R)-5-[[6-(4-ethyl-2-hydroxyphenyl)-5-methylpyridazin-3-yl]amino]-1-methylpiperidine-2-carboxylic acid (PubChem CID 178140406) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is (2R,5R)-5-[[6-(4-ethyl-2-hydroxyphenyl)-5-methylpyridazin-3-yl]amino]-1-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5R)-5-[[6-(4-ethyl-2-hydroxyphenyl)-5-methylpyridazin-3-yl]amino]-1-methylpiperidine-2-carboxylic acid
PubChem CID178140406
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name(2R,5R)-5-[[6-(4-ethyl-2-hydroxyphenyl)-5-methylpyridazin-3-yl]amino]-1-methylpiperidine-2-carboxylic acid
SMILESCCc1ccc(-c2nnc(N[C@@H]3CC[C@H](C(=O)O)N(C)C3)cc2C)c(O)c1
InChIInChI=1S/C20H26N4O3/c1-4-13-5-7-15(17(25)10-13)19-12(2)9-18(22-23-19)21-14-6-8-16(20(26)27)24(3)11-14/h5,7,9-10,14,16,25H,4,6,8,11H2,1-3H3,(H,21,22)(H,26,27)/t14-,16-/m1/s1
InChIKeySDQOQSWYHAWBKE-GDBMZVCRSA-N
XLogP2.68
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,5R)-5-[[6-(4-ethyl-2-hydroxyphenyl)-5-methylpyridazin-3-yl]amino]-1-methylpiperidine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

5-[[6-(2-hydroxy-4-propan-2-ylphenyl)-5-methylpyridazin-3-yl]amino]-1-methylpiperidine-2-carbaldehyde
CID 178140572
2-[4-methyl-6-[[(3S)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-phenylphenol
CID 170442310
5-[[6-[4-(difluoromethoxy)-2-hydroxyphenyl]-4-(hydroxymethyl)-5-methylpyridazin-3-yl]amino]-1-methylpiperidine-2-carboxylic acid
CID 178140487
2-[2-[3-[[6-(2-hydroxy-4-methylphenyl)-5-methylpyridazin-3-yl]amino]piperidin-1-yl]ethoxy]acetic acid
CID 178140824
2-[(3R)-3-[[6-(2-hydroxy-4-propan-2-ylphenyl)-5-methylpyridazin-3-yl]amino]piperidin-1-yl]acetic acid
CID 178141032
3-[(3R)-3-[[6-(2-hydroxy-4-methoxyphenyl)-5-methylpyridazin-3-yl]amino]piperidin-1-yl]-2-methylpropanoic acid
CID 178140377
(2S,5R)-5-[[4-cyano-6-[2-hydroxy-4-(trifluoromethyl)phenyl]-5-methylpyridazin-3-yl]amino]-1-methylpiperidine-2-carboxylic acid
CID 178140540
2-[4-methyl-6-[[(3S)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-5-methylsulfonylphenol
CID 170442521
ethyl 2-[(3R)-3-[[6-(2-hydroxy-4-propan-2-ylphenyl)-5-methylpyridazin-3-yl]amino]piperidin-1-yl]propanoate
CID 178140541
2-[2-[(3R)-3-[[6-(2-hydroxy-4-propan-2-ylphenyl)-5-methylpyridazin-3-yl]amino]piperidin-1-yl]ethoxy]acetic acid
CID 178140776
6-[4-methyl-6-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-yl]-2,3-dihydro-1H-inden-5-ol
CID 164544832
1-(3-hydroxyazetidin-1-yl)-2-[(3R)-3-[[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-5-methylpyridazin-3-yl]amino]piperidin-1-yl]ethanone
CID 171838068

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-[[6-(4-ethyl-2-hydroxyphenyl)-5-methylpyridazin-3-yl]amino]-1-methylpiperidine-2-carboxylic acid?
The IUPAC name of (2R,5R)-5-[[6-(4-ethyl-2-hydroxyphenyl)-5-methylpyridazin-3-yl]amino]-1-methylpiperidine-2-carboxylic acid (CID 178140406) is (2R,5R)-5-[[6-(4-ethyl-2-hydroxyphenyl)-5-methylpyridazin-3-yl]amino]-1-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for (2R,5R)-5-[[6-(4-ethyl-2-hydroxyphenyl)-5-methylpyridazin-3-yl]amino]-1-methylpiperidine-2-carboxylic acid?
The canonical SMILES for (2R,5R)-5-[[6-(4-ethyl-2-hydroxyphenyl)-5-methylpyridazin-3-yl]amino]-1-methylpiperidine-2-carboxylic acid is CCc1ccc(-c2nnc(N[C@@H]3CC[C@H](C(=O)O)N(C)C3)cc2C)c(O)c1.
What is the InChIKey of (2R,5R)-5-[[6-(4-ethyl-2-hydroxyphenyl)-5-methylpyridazin-3-yl]amino]-1-methylpiperidine-2-carboxylic acid?
The InChIKey is SDQOQSWYHAWBKE-GDBMZVCRSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-4-13-5-7-15(17(25)10-13)19-12(2)9-18(22-23-19)21-14-6-8-16(20(26)27)24(3)11-14/h5,7,9-10,14,16,25H,4,6,8,11H2,1-3H3,(H,21,22)(H,26,27)/t14-,16-/m1/s1.
What are the key properties of (2R,5R)-5-[[6-(4-ethyl-2-hydroxyphenyl)-5-methylpyridazin-3-yl]amino]-1-methylpiperidine-2-carboxylic acid?
(2R,5R)-5-[[6-(4-ethyl-2-hydroxyphenyl)-5-methylpyridazin-3-yl]amino]-1-methylpiperidine-2-carboxylic acid has a molecular weight of 370.45 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-[[6-(4-ethyl-2-hydroxyphenyl)-5-methylpyridazin-3-yl]amino]-1-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 178140406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).