16-methyl-9-(2-pyridin-3-ylethyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene

C22H25N3 — CID 142759372

IUPAC16-methyl-9-(2-pyridin-3-ylethyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene
SMILESCN1C2CCCC1c1c(n(CCc3cccnc3)c3ccccc13)C2
InChIInChI=1S/C22H25N3/c1-24-17-7-4-10-20(24)22-18-8-2-3-9-19(18)25(21(22)14-17)13-11-16-6-5-12-23-15-16/h2-3,5-6,8-9,12,15,17,20H,4,7,10-11,13-14H2,1H3
InChIKeyWHOZIXBQGZNHMC-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.36
Rot. Bonds3

About 16-methyl-9-(2-pyridin-3-ylethyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene

16-methyl-9-(2-pyridin-3-ylethyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene (PubChem CID 142759372) has the molecular formula C22H25N3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 16-methyl-9-(2-pyridin-3-ylethyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene.

Molecular Properties

Compound Name16-methyl-9-(2-pyridin-3-ylethyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene
PubChem CID142759372
Molecular FormulaC22H25N3
Molecular Weight331.46 g/mol
Exact Mass331.20
IUPAC Name16-methyl-9-(2-pyridin-3-ylethyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene
SMILESCN1C2CCCC1c1c(n(CCc3cccnc3)c3ccccc13)C2
InChIInChI=1S/C22H25N3/c1-24-17-7-4-10-20(24)22-18-8-2-3-9-19(18)25(21(22)14-17)13-11-16-6-5-12-23-15-16/h2-3,5-6,8-9,12,15,17,20H,4,7,10-11,13-14H2,1H3
InChIKeyWHOZIXBQGZNHMC-UHFFFAOYSA-N
XLogP4.36
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

16-methyl-9-(3-phenylpropyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene
CID 142759487
5-methoxy-15-methyl-9-(2-pyridin-3-ylethyl)-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 142758930
5,16-dimethyl-9-(2-pyridin-4-ylethyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraene
CID 142759237
1,2,3,8-tetramethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759333
5-fluoro-15-methyl-9-[2-(6-methyl-3-pyridinyl)ethyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 142759228
9-(2-pyridin-3-ylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712043
(1R,12S)-5,15-dimethyl-9-[2-(2-methylpyrimidin-5-yl)ethyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 67545479
14-methyl-10-(2-pyridin-3-ylethyl)-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraene
CID 71007600
2-(15-methyl-5,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-9-yl)-1-piperidin-1-ylethanone
CID 59285330
2-(4-fluorophenyl)-1-[(1S,12R)-15-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-9-yl]propan-2-ol
CID 70897571
6-chloro-2,3-dimethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759040
(1S,12R)-5-methoxy-15-methyl-9-[2-[3-(trifluoromethyl)phenyl]ethyl]-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 67543713

Frequently Asked Questions

What is the IUPAC name of 16-methyl-9-(2-pyridin-3-ylethyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene?
The IUPAC name of 16-methyl-9-(2-pyridin-3-ylethyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene (CID 142759372) is 16-methyl-9-(2-pyridin-3-ylethyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene.
What is the SMILES notation for 16-methyl-9-(2-pyridin-3-ylethyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene?
The canonical SMILES for 16-methyl-9-(2-pyridin-3-ylethyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene is CN1C2CCCC1c1c(n(CCc3cccnc3)c3ccccc13)C2.
What is the InChIKey of 16-methyl-9-(2-pyridin-3-ylethyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene?
The InChIKey is WHOZIXBQGZNHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3/c1-24-17-7-4-10-20(24)22-18-8-2-3-9-19(18)25(21(22)14-17)13-11-16-6-5-12-23-15-16/h2-3,5-6,8-9,12,15,17,20H,4,7,10-11,13-14H2,1H3.
What are the key properties of 16-methyl-9-(2-pyridin-3-ylethyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene?
16-methyl-9-(2-pyridin-3-ylethyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene has a molecular weight of 331.46 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-methyl-9-(2-pyridin-3-ylethyl)-9,16-diazatetracyclo[10.3.1.02,10.03,8]hexadeca-2(10),3,5,7-tetraene is sourced from PubChem (CID 142759372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).