(3S)-3-[(9-ethylpurin-6-yl)amino]-1-pyridin-3-ylpiperidin-2-one

C17H19N7O — CID 129447691

IUPAC(3S)-3-[(9-ethylpurin-6-yl)amino]-1-pyridin-3-ylpiperidin-2-one
SMILESCCn1cnc2c(N[C@H]3CCCN(c4cccnc4)C3=O)ncnc21
InChIInChI=1S/C17H19N7O/c1-2-23-11-21-14-15(19-10-20-16(14)23)22-13-6-4-8-24(17(13)25)12-5-3-7-18-9-12/h3,5,7,9-11,13H,2,4,6,8H2,1H3,(H,19,20,22)/t13-/m0/s1
InChIKeyWOHVSBULRYZONC-ZDUSSCGKSA-N
MW337.39 g/mol
LogP1.85
Rot. Bonds4

About (3S)-3-[(9-ethylpurin-6-yl)amino]-1-pyridin-3-ylpiperidin-2-one

(3S)-3-[(9-ethylpurin-6-yl)amino]-1-pyridin-3-ylpiperidin-2-one (PubChem CID 129447691) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is (3S)-3-[(9-ethylpurin-6-yl)amino]-1-pyridin-3-ylpiperidin-2-one.

Molecular Properties

Compound Name(3S)-3-[(9-ethylpurin-6-yl)amino]-1-pyridin-3-ylpiperidin-2-one
PubChem CID129447691
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name(3S)-3-[(9-ethylpurin-6-yl)amino]-1-pyridin-3-ylpiperidin-2-one
SMILESCCn1cnc2c(N[C@H]3CCCN(c4cccnc4)C3=O)ncnc21
InChIInChI=1S/C17H19N7O/c1-2-23-11-21-14-15(19-10-20-16(14)23)22-13-6-4-8-24(17(13)25)12-5-3-7-18-9-12/h3,5,7,9-11,13H,2,4,6,8H2,1H3,(H,19,20,22)/t13-/m0/s1
InChIKeyWOHVSBULRYZONC-ZDUSSCGKSA-N
XLogP1.85
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3S)-3-[(9-ethylpurin-6-yl)amino]-1-pyridin-3-ylpiperidin-2-one with MolForge

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Related Compounds

(3S)-3-[(5-bromopyrimidin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one
CID 124886074
(3S)-3-[(5-fluoroquinazolin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one
CID 124886125
9-ethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)purin-6-amine
CID 163348579
5-chloro-4-methyl-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]pyridine-3-carbonitrile
CID 124885543
(3R)-1-pyridin-3-yl-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]piperidin-2-one
CID 129429821
1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]-3-[(3R)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]urea
CID 97351700
N-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)furan-2-carboxamide
CID 75503381
1-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3-phenylurea
CID 166208852
methyl (2S)-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]-2-pyridin-3-ylacetate
CID 124616584
9-ethyl-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]purine
CID 166601592
3-(methylamino)-1-pyrimidin-5-ylpiperidin-2-one
CID 107590126
2-pyridin-3-yl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
CID 141312593

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(9-ethylpurin-6-yl)amino]-1-pyridin-3-ylpiperidin-2-one?
The IUPAC name of (3S)-3-[(9-ethylpurin-6-yl)amino]-1-pyridin-3-ylpiperidin-2-one (CID 129447691) is (3S)-3-[(9-ethylpurin-6-yl)amino]-1-pyridin-3-ylpiperidin-2-one.
What is the SMILES notation for (3S)-3-[(9-ethylpurin-6-yl)amino]-1-pyridin-3-ylpiperidin-2-one?
The canonical SMILES for (3S)-3-[(9-ethylpurin-6-yl)amino]-1-pyridin-3-ylpiperidin-2-one is CCn1cnc2c(N[C@H]3CCCN(c4cccnc4)C3=O)ncnc21.
What is the InChIKey of (3S)-3-[(9-ethylpurin-6-yl)amino]-1-pyridin-3-ylpiperidin-2-one?
The InChIKey is WOHVSBULRYZONC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19N7O/c1-2-23-11-21-14-15(19-10-20-16(14)23)22-13-6-4-8-24(17(13)25)12-5-3-7-18-9-12/h3,5,7,9-11,13H,2,4,6,8H2,1H3,(H,19,20,22)/t13-/m0/s1.
What are the key properties of (3S)-3-[(9-ethylpurin-6-yl)amino]-1-pyridin-3-ylpiperidin-2-one?
(3S)-3-[(9-ethylpurin-6-yl)amino]-1-pyridin-3-ylpiperidin-2-one has a molecular weight of 337.39 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(9-ethylpurin-6-yl)amino]-1-pyridin-3-ylpiperidin-2-one is sourced from PubChem (CID 129447691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).