2-[(3R,4R)-1-(2-methylpyrimidin-4-yl)-4-pyridin-3-yloxypiperidin-3-yl]acetamide

C17H21N5O2 — CID 155992556

IUPAC2-[(3R,4R)-1-(2-methylpyrimidin-4-yl)-4-pyridin-3-yloxypiperidin-3-yl]acetamide
SMILESCc1nccc(N2CC[C@@H](Oc3cccnc3)[C@H](CC(N)=O)C2)n1
InChIInChI=1S/C17H21N5O2/c1-12-20-7-4-17(21-12)22-8-5-15(13(11-22)9-16(18)23)24-14-3-2-6-19-10-14/h2-4,6-7,10,13,15H,5,8-9,11H2,1H3,(H2,18,23)/t13-,15-/m1/s1
InChIKeyNNKUQSIQANIAGL-UKRRQHHQSA-N
MW327.39 g/mol
LogP1.33
Rot. Bonds5

About 2-[(3R,4R)-1-(2-methylpyrimidin-4-yl)-4-pyridin-3-yloxypiperidin-3-yl]acetamide

2-[(3R,4R)-1-(2-methylpyrimidin-4-yl)-4-pyridin-3-yloxypiperidin-3-yl]acetamide (PubChem CID 155992556) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-[(3R,4R)-1-(2-methylpyrimidin-4-yl)-4-pyridin-3-yloxypiperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(3R,4R)-1-(2-methylpyrimidin-4-yl)-4-pyridin-3-yloxypiperidin-3-yl]acetamide
PubChem CID155992556
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name2-[(3R,4R)-1-(2-methylpyrimidin-4-yl)-4-pyridin-3-yloxypiperidin-3-yl]acetamide
SMILESCc1nccc(N2CC[C@@H](Oc3cccnc3)[C@H](CC(N)=O)C2)n1
InChIInChI=1S/C17H21N5O2/c1-12-20-7-4-17(21-12)22-8-5-15(13(11-22)9-16(18)23)24-14-3-2-6-19-10-14/h2-4,6-7,10,13,15H,5,8-9,11H2,1H3,(H2,18,23)/t13-,15-/m1/s1
InChIKeyNNKUQSIQANIAGL-UKRRQHHQSA-N
XLogP1.33
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3R,4R)-1-(2-methylpyrimidin-4-yl)-4-pyridin-3-yloxypiperidin-3-yl]acetamide with MolForge

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Related Compounds

4-[(3R)-3-[(5-bromo-3-pyridinyl)oxy]pyrrolidin-1-yl]-2-methylpyrimidine
CID 125423872
2-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]oxyacetic acid
CID 55250913
4-methyl-1-(2-methylpyrimidin-4-yl)piperidin-3-ol
CID 103896105
1-[(3R,4S)-3-benzyl-4-pyridin-3-yloxypiperidin-1-yl]-2-methoxyethanone
CID 124788610
1-[(3R,4R)-3-benzyl-4-pyridin-3-yloxypiperidin-1-yl]-2-methoxyethanone
CID 124788609
(2,4-dimethylpyrimidin-5-yl)-[(4S,5S)-4-hydroxy-5-pyridin-3-yloxyazepan-1-yl]methanone
CID 110128640
2-(3-pyridin-3-yloxypyrrolidin-1-yl)acetamide
CID 175996519
2-[1-(2-hydrazinylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 80904290
1-(2-methylpyrimidin-4-yl)-3-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide
CID 110258311
2-[1-(2-chloropyrimidin-4-yl)piperidin-4-yl]acetamide
CID 62341695
1-[(3R,4S)-3-benzyl-4-pyridin-3-yloxypiperidin-1-yl]-3-methoxypropan-1-one
CID 124798783
2-methyl-4-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrimidine
CID 139029254

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-1-(2-methylpyrimidin-4-yl)-4-pyridin-3-yloxypiperidin-3-yl]acetamide?
The IUPAC name of 2-[(3R,4R)-1-(2-methylpyrimidin-4-yl)-4-pyridin-3-yloxypiperidin-3-yl]acetamide (CID 155992556) is 2-[(3R,4R)-1-(2-methylpyrimidin-4-yl)-4-pyridin-3-yloxypiperidin-3-yl]acetamide.
What is the SMILES notation for 2-[(3R,4R)-1-(2-methylpyrimidin-4-yl)-4-pyridin-3-yloxypiperidin-3-yl]acetamide?
The canonical SMILES for 2-[(3R,4R)-1-(2-methylpyrimidin-4-yl)-4-pyridin-3-yloxypiperidin-3-yl]acetamide is Cc1nccc(N2CC[C@@H](Oc3cccnc3)[C@H](CC(N)=O)C2)n1.
What is the InChIKey of 2-[(3R,4R)-1-(2-methylpyrimidin-4-yl)-4-pyridin-3-yloxypiperidin-3-yl]acetamide?
The InChIKey is NNKUQSIQANIAGL-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12-20-7-4-17(21-12)22-8-5-15(13(11-22)9-16(18)23)24-14-3-2-6-19-10-14/h2-4,6-7,10,13,15H,5,8-9,11H2,1H3,(H2,18,23)/t13-,15-/m1/s1.
What are the key properties of 2-[(3R,4R)-1-(2-methylpyrimidin-4-yl)-4-pyridin-3-yloxypiperidin-3-yl]acetamide?
2-[(3R,4R)-1-(2-methylpyrimidin-4-yl)-4-pyridin-3-yloxypiperidin-3-yl]acetamide has a molecular weight of 327.39 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-1-(2-methylpyrimidin-4-yl)-4-pyridin-3-yloxypiperidin-3-yl]acetamide is sourced from PubChem (CID 155992556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).