3-[(3R)-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one

C16H21N5O2 — CID 129474909

IUPAC3-[(3R)-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one
SMILESCc1ccc(O)c(CN[C@@H]2CCCN(c3ncc[nH]c3=O)C2)n1
InChIInChI=1S/C16H21N5O2/c1-11-4-5-14(22)13(20-11)9-19-12-3-2-8-21(10-12)15-16(23)18-7-6-17-15/h4-7,12,19,22H,2-3,8-10H2,1H3,(H,18,23)/t12-/m1/s1
InChIKeyPHTDKVYDBKLMHK-GFCCVEGCSA-N
MW315.38 g/mol
LogP0.94
Rot. Bonds4

About 3-[(3R)-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one

3-[(3R)-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one (PubChem CID 129474909) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-[(3R)-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(3R)-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one
PubChem CID129474909
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name3-[(3R)-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one
SMILESCc1ccc(O)c(CN[C@@H]2CCCN(c3ncc[nH]c3=O)C2)n1
InChIInChI=1S/C16H21N5O2/c1-11-4-5-14(22)13(20-11)9-19-12-3-2-8-21(10-12)15-16(23)18-7-6-17-15/h4-7,12,19,22H,2-3,8-10H2,1H3,(H,18,23)/t12-/m1/s1
InChIKeyPHTDKVYDBKLMHK-GFCCVEGCSA-N
XLogP0.94
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[(3R)-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one with MolForge

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Related Compounds

3-[(3S)-3-[[3-(trifluoromethyl)-2-pyridinyl]methylamino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129337236
3-[3-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129007063
3-[(3S)-3-[(1-methylbenzimidazol-2-yl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129473298
2-[(cyclobutylamino)methyl]-6-methylpyridin-3-ol
CID 78950424
3-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]-1H-pyrazin-2-one
CID 128967013
3-[(3S)-3-[(2-morpholin-4-ylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129475293
6-methyl-2-[[(1-methylpiperidin-4-yl)amino]methyl]pyridin-3-ol
CID 79025943
5,6-dimethyl-2-oxo-N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1H-pyrazine-3-carboxamide
CID 127974631
2-[[(4-hydroxycyclohexyl)amino]methyl]-6-methylpyridin-3-ol
CID 78928626
2-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]-6-methylpyridin-3-ol
CID 95299359
N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide
CID 129476538
3-(4-methylazepan-1-yl)-1H-pyrazin-2-one
CID 115650237

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one?
The IUPAC name of 3-[(3R)-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one (CID 129474909) is 3-[(3R)-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(3R)-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[(3R)-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one is Cc1ccc(O)c(CN[C@@H]2CCCN(c3ncc[nH]c3=O)C2)n1.
What is the InChIKey of 3-[(3R)-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one?
The InChIKey is PHTDKVYDBKLMHK-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-11-4-5-14(22)13(20-11)9-19-12-3-2-8-21(10-12)15-16(23)18-7-6-17-15/h4-7,12,19,22H,2-3,8-10H2,1H3,(H,18,23)/t12-/m1/s1.
What are the key properties of 3-[(3R)-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one?
3-[(3R)-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one has a molecular weight of 315.38 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one is sourced from PubChem (CID 129474909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).