2-(3,5-dimethylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide

C22H27N5O2 — CID 46881838

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide
SMILESCc1cc(C)n(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)n1
InChIInChI=1S/C22H27N5O2/c1-16-12-17(2)27(26-16)15-22(29)25-20-7-5-18(6-8-20)9-11-24-14-21(28)19-4-3-10-23-13-19/h3-8,10,12-13,21,24,28H,9,11,14-15H2,1-2H3,(H,25,29)/t21-/m0/s1
InChIKeyLRHFSLJAFVMTKO-NRFANRHFSA-N
MW393.49 g/mol
LogP2.40
Rot. Bonds9

About 2-(3,5-dimethylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide (PubChem CID 46881838) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide
PubChem CID46881838
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide
SMILESCc1cc(C)n(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)n1
InChIInChI=1S/C22H27N5O2/c1-16-12-17(2)27(26-16)15-22(29)25-20-7-5-18(6-8-20)9-11-24-14-21(28)19-4-3-10-23-13-19/h3-8,10,12-13,21,24,28H,9,11,14-15H2,1-2H3,(H,25,29)/t21-/m0/s1
InChIKeyLRHFSLJAFVMTKO-NRFANRHFSA-N
XLogP2.40
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(6S)-N-[4-[[(2S,5R)-5-[(R)-hydroxy(pyridin-3-yl)methyl]pyrrolidin-2-yl]methyl]phenyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-6-carboxamide
CID 70792359
(R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)-2-(1H-indazol-1-yl)acetamide
CID 46881573
(R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)-2-(2H-indazol-2-yl)acetamide
CID 46881574
(R)-2-(2H-benzo[d][1,2,3]triazol-2-yl)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)acetamide
CID 46881575
(R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 46881614
(R)-2-(3-amino-1H-1,2,4-triazol-1-yl)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)acetamide
CID 46881615
N-(4-(2-((R)-2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
CID 46881698
(R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)pyrazolo[1,5-a]pyridine-7-carboxamide
CID 46881796
(R)-2-(4,5-diphenyl-1H-pyrazol-1-yl)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)acetamide
CID 46881797
(R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)-2-(1H-pyrazol-1-yl)acetamide
CID 46881798
(R)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)-2-(3-methyl-1H-pyrazol-1-yl)acetamide
CID 46881799
(R)-2-(3,5-diphenyl-1H-pyrazol-1-yl)-N-(4-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)phenyl)acetamide
CID 46881839

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide (CID 46881838) is 2-(3,5-dimethylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide is Cc1cc(C)n(CC(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide?
The InChIKey is LRHFSLJAFVMTKO-NRFANRHFSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-16-12-17(2)27(26-16)15-22(29)25-20-7-5-18(6-8-20)9-11-24-14-21(28)19-4-3-10-23-13-19/h3-8,10,12-13,21,24,28H,9,11,14-15H2,1-2H3,(H,25,29)/t21-/m0/s1.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide has a molecular weight of 393.49 g/mol, XLogP of 2.40, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 46881838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).