(1R,2S,6R,7S)-10-[2-(6-methyl-2-pyridinyl)ethyl]-4,10-diazatricyclo[5.2.1.02,6]decane

C16H23N3 — CID 122562078

IUPAC(1R,2S,6R,7S)-10-[2-(6-methyl-2-pyridinyl)ethyl]-4,10-diazatricyclo[5.2.1.02,6]decane
SMILESCc1cccc(CCN2[C@@H]3CC[C@H]2[C@H]2CNC[C@H]23)n1
InChIInChI=1S/C16H23N3/c1-11-3-2-4-12(18-11)7-8-19-15-5-6-16(19)14-10-17-9-13(14)15/h2-4,13-17H,5-10H2,1H3/t13-,14+,15-,16+
InChIKeyXAOYXSUCNPMCNK-GEEKYZPCSA-N
MW257.38 g/mol
LogP1.61
Rot. Bonds3

About (1R,2S,6R,7S)-10-[2-(6-methyl-2-pyridinyl)ethyl]-4,10-diazatricyclo[5.2.1.02,6]decane

(1R,2S,6R,7S)-10-[2-(6-methyl-2-pyridinyl)ethyl]-4,10-diazatricyclo[5.2.1.02,6]decane (PubChem CID 122562078) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is (1R,2S,6R,7S)-10-[2-(6-methyl-2-pyridinyl)ethyl]-4,10-diazatricyclo[5.2.1.02,6]decane.

Molecular Properties

Compound Name(1R,2S,6R,7S)-10-[2-(6-methyl-2-pyridinyl)ethyl]-4,10-diazatricyclo[5.2.1.02,6]decane
PubChem CID122562078
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name(1R,2S,6R,7S)-10-[2-(6-methyl-2-pyridinyl)ethyl]-4,10-diazatricyclo[5.2.1.02,6]decane
SMILESCc1cccc(CCN2[C@@H]3CC[C@H]2[C@H]2CNC[C@H]23)n1
InChIInChI=1S/C16H23N3/c1-11-3-2-4-12(18-11)7-8-19-15-5-6-16(19)14-10-17-9-13(14)15/h2-4,13-17H,5-10H2,1H3/t13-,14+,15-,16+
InChIKeyXAOYXSUCNPMCNK-GEEKYZPCSA-N
XLogP1.61
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(6-methyl-2-pyridinyl)ethyl]azetidin-3-amine
CID 130815160
(3S,4S)-4-ethoxy-1-[2-(6-methyl-2-pyridinyl)ethyl]pyrrolidin-3-ol
CID 91779783
2-(2-fluoroethyl)-6-methylpyridine
CID 70660766
(1S,5R)-7-[2-(6-methyl-2-pyridinyl)ethyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 155916419
2-methyl-6-[2-[[4-methyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]sulfanyl]ethyl]pyridine
CID 126433916
N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]-4-methylsulfanylpyrrolidin-3-amine
CID 82760340
7-methoxy-2-[(6-methyl-2-pyridinyl)methyl]-2-azabicyclo[2.2.1]heptane
CID 131661375
2-methyl-6-[[(3S)-piperidin-3-yl]oxymethyl]pyridine
CID 79261213
(3aS,6aS)-1-(6-methyl-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 61142838
3-(6-methyl-2-pyridinyl)propanenitrile
CID 14687222
(4aR,7aS)-4-(3-methylbut-2-enyl)-1-[2-(6-methyl-2-pyridinyl)ethyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 133118863
1-[2-(6-methyl-2-pyridinyl)ethyl]-4-pyrrolidin-1-ylsulfonylpiperazine
CID 171907754

Frequently Asked Questions

What is the IUPAC name of (1R,2S,6R,7S)-10-[2-(6-methyl-2-pyridinyl)ethyl]-4,10-diazatricyclo[5.2.1.02,6]decane?
The IUPAC name of (1R,2S,6R,7S)-10-[2-(6-methyl-2-pyridinyl)ethyl]-4,10-diazatricyclo[5.2.1.02,6]decane (CID 122562078) is (1R,2S,6R,7S)-10-[2-(6-methyl-2-pyridinyl)ethyl]-4,10-diazatricyclo[5.2.1.02,6]decane.
What is the SMILES notation for (1R,2S,6R,7S)-10-[2-(6-methyl-2-pyridinyl)ethyl]-4,10-diazatricyclo[5.2.1.02,6]decane?
The canonical SMILES for (1R,2S,6R,7S)-10-[2-(6-methyl-2-pyridinyl)ethyl]-4,10-diazatricyclo[5.2.1.02,6]decane is Cc1cccc(CCN2[C@@H]3CC[C@H]2[C@H]2CNC[C@H]23)n1.
What is the InChIKey of (1R,2S,6R,7S)-10-[2-(6-methyl-2-pyridinyl)ethyl]-4,10-diazatricyclo[5.2.1.02,6]decane?
The InChIKey is XAOYXSUCNPMCNK-GEEKYZPCSA-N. The full InChI is InChI=1S/C16H23N3/c1-11-3-2-4-12(18-11)7-8-19-15-5-6-16(19)14-10-17-9-13(14)15/h2-4,13-17H,5-10H2,1H3/t13-,14+,15-,16+.
What are the key properties of (1R,2S,6R,7S)-10-[2-(6-methyl-2-pyridinyl)ethyl]-4,10-diazatricyclo[5.2.1.02,6]decane?
(1R,2S,6R,7S)-10-[2-(6-methyl-2-pyridinyl)ethyl]-4,10-diazatricyclo[5.2.1.02,6]decane has a molecular weight of 257.38 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,6R,7S)-10-[2-(6-methyl-2-pyridinyl)ethyl]-4,10-diazatricyclo[5.2.1.02,6]decane is sourced from PubChem (CID 122562078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).