2-[3-[[6-(3-hydroxy-5-methyl-2-pyridinyl)-4,5-dimethylpyridazin-3-yl]amino]piperidin-1-yl]acetic acid

C19H25N5O3 — CID 170259568

IUPAC2-[3-[[6-(3-hydroxy-5-methyl-2-pyridinyl)-4,5-dimethylpyridazin-3-yl]amino]piperidin-1-yl]acetic acid
SMILESCc1cnc(-c2nnc(NC3CCCN(CC(=O)O)C3)c(C)c2C)c(O)c1
InChIInChI=1S/C19H25N5O3/c1-11-7-15(25)18(20-8-11)17-12(2)13(3)19(23-22-17)21-14-5-4-6-24(9-14)10-16(26)27/h7-8,14,25H,4-6,9-10H2,1-3H3,(H,21,23)(H,26,27)
InChIKeyCTOQFPINUNDJKL-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.13
Rot. Bonds5

About 2-[3-[[6-(3-hydroxy-5-methyl-2-pyridinyl)-4,5-dimethylpyridazin-3-yl]amino]piperidin-1-yl]acetic acid

2-[3-[[6-(3-hydroxy-5-methyl-2-pyridinyl)-4,5-dimethylpyridazin-3-yl]amino]piperidin-1-yl]acetic acid (PubChem CID 170259568) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[3-[[6-(3-hydroxy-5-methyl-2-pyridinyl)-4,5-dimethylpyridazin-3-yl]amino]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[6-(3-hydroxy-5-methyl-2-pyridinyl)-4,5-dimethylpyridazin-3-yl]amino]piperidin-1-yl]acetic acid
PubChem CID170259568
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name2-[3-[[6-(3-hydroxy-5-methyl-2-pyridinyl)-4,5-dimethylpyridazin-3-yl]amino]piperidin-1-yl]acetic acid
SMILESCc1cnc(-c2nnc(NC3CCCN(CC(=O)O)C3)c(C)c2C)c(O)c1
InChIInChI=1S/C19H25N5O3/c1-11-7-15(25)18(20-8-11)17-12(2)13(3)19(23-22-17)21-14-5-4-6-24(9-14)10-16(26)27/h7-8,14,25H,4-6,9-10H2,1-3H3,(H,21,23)(H,26,27)
InChIKeyCTOQFPINUNDJKL-UHFFFAOYSA-N
XLogP2.13
TPSA111.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[3-[[6-(3-hydroxy-5-methyl-2-pyridinyl)-4,5-dimethylpyridazin-3-yl]amino]piperidin-1-yl]acetic acid with MolForge

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Related Compounds

2-[4,5-dimethyl-6-[(1-methylpiperidin-3-yl)amino]pyridazin-3-yl]-5-methylpyridin-3-ol
CID 170259554
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-[3-[[8-(4-chloro-2-hydroxyphenyl)pyrido[2,3-d]pyridazin-5-yl]amino]piperidin-1-yl]acetic acid
CID 176585111
2-[6-[[1-(1-hydroxypropan-2-yl)piperidin-3-yl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)pyridin-3-ol
CID 170259546
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-(2-hydroxy-4-methylphenyl)pyrido[2,3-d]pyridazin-8-yl]amino]piperidin-1-yl]acetamide
CID 170258922
2-[(3R)-3-[[6-(2-hydroxy-4-propan-2-ylphenyl)-5-methylpyridazin-3-yl]amino]piperidin-1-yl]acetic acid
CID 178141032
2-[3-[[5-[3-hydroxy-5-(trifluoromethyl)-2-pyridinyl]pyrido[2,3-d]pyridazin-8-yl]amino]piperidin-1-yl]acetamide
CID 170259319
3-fluoro-2-[4-[[(3R)-1-(2-hydroxyethyl)piperidin-3-yl]amino]pyrido[3,4-d]pyridazin-1-yl]-5-methylphenol
CID 171852590
2-[4-[[(3S)-1-ethylpiperidin-3-yl]amino]-7-methylphthalazin-1-yl]-5-methylsulfonylphenol
CID 177308718
4-[(3R)-3-[[4-carbamoyl-6-(2-hydroxy-4-methoxyphenyl)-5-methylpyridazin-3-yl]amino]piperidin-1-yl]butanoic acid
CID 178140809
2-[2-[3-[[6-(2-hydroxy-4-methylphenyl)-5-methylpyridazin-3-yl]amino]piperidin-1-yl]ethoxy]acetic acid
CID 178140824

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[6-(3-hydroxy-5-methyl-2-pyridinyl)-4,5-dimethylpyridazin-3-yl]amino]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[3-[[6-(3-hydroxy-5-methyl-2-pyridinyl)-4,5-dimethylpyridazin-3-yl]amino]piperidin-1-yl]acetic acid (CID 170259568) is 2-[3-[[6-(3-hydroxy-5-methyl-2-pyridinyl)-4,5-dimethylpyridazin-3-yl]amino]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[[6-(3-hydroxy-5-methyl-2-pyridinyl)-4,5-dimethylpyridazin-3-yl]amino]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-[[6-(3-hydroxy-5-methyl-2-pyridinyl)-4,5-dimethylpyridazin-3-yl]amino]piperidin-1-yl]acetic acid is Cc1cnc(-c2nnc(NC3CCCN(CC(=O)O)C3)c(C)c2C)c(O)c1.
What is the InChIKey of 2-[3-[[6-(3-hydroxy-5-methyl-2-pyridinyl)-4,5-dimethylpyridazin-3-yl]amino]piperidin-1-yl]acetic acid?
The InChIKey is CTOQFPINUNDJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-11-7-15(25)18(20-8-11)17-12(2)13(3)19(23-22-17)21-14-5-4-6-24(9-14)10-16(26)27/h7-8,14,25H,4-6,9-10H2,1-3H3,(H,21,23)(H,26,27).
What are the key properties of 2-[3-[[6-(3-hydroxy-5-methyl-2-pyridinyl)-4,5-dimethylpyridazin-3-yl]amino]piperidin-1-yl]acetic acid?
2-[3-[[6-(3-hydroxy-5-methyl-2-pyridinyl)-4,5-dimethylpyridazin-3-yl]amino]piperidin-1-yl]acetic acid has a molecular weight of 371.44 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[6-(3-hydroxy-5-methyl-2-pyridinyl)-4,5-dimethylpyridazin-3-yl]amino]piperidin-1-yl]acetic acid is sourced from PubChem (CID 170259568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).