4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2,6-dimethyl-4-pyridinyl)methanone

C18H24N2O — CID 74233715

IUPAC4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2,6-dimethyl-4-pyridinyl)methanone
SMILESCc1cc(C(=O)N2CC3CC4CC(C3)CC2C4)cc(C)n1
InChIInChI=1S/C18H24N2O/c1-11-3-16(4-12(2)19-11)18(21)20-10-15-6-13-5-14(7-15)9-17(20)8-13/h3-4,13-15,17H,5-10H2,1-2H3
InChIKeyMZLVIAIMOVKDND-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.35
Rot. Bonds1

About 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2,6-dimethyl-4-pyridinyl)methanone

4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2,6-dimethyl-4-pyridinyl)methanone (PubChem CID 74233715) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2,6-dimethyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2,6-dimethyl-4-pyridinyl)methanone
PubChem CID74233715
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2,6-dimethyl-4-pyridinyl)methanone
SMILESCc1cc(C(=O)N2CC3CC4CC(C3)CC2C4)cc(C)n1
InChIInChI=1S/C18H24N2O/c1-11-3-16(4-12(2)19-11)18(21)20-10-15-6-13-5-14(7-15)9-17(20)8-13/h3-4,13-15,17H,5-10H2,1-2H3
InChIKeyMZLVIAIMOVKDND-UHFFFAOYSA-N
XLogP3.35
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-azatricyclo[4.3.1.13,8]undecane-4-carbonyl)-1,3-thiazol-2-yl]acetamide
CID 71936201
[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 95163480
4-azatricyclo[4.3.1.13,8]undecan-4-yl-[3-(2,2-dimethylpropyl)-[1,2]oxazolo[5,4-b]pyridin-5-yl]methanone
CID 71883521
(3-methyl-3,6-diazabicyclo[3.2.1]octan-6-yl)-(4-methylphenyl)methanone
CID 121451720
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone;hydrochloride
CID 120625314
(2,6-dimethyl-4-pyridinyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 77081763
(4-amino-5-chloro-2-methoxyphenyl)-(4-azatricyclo[4.3.1.13,8]undecan-4-yl)methanone
CID 119747137
[(1S,8R)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-[4-(diethylamino)-2-hydroxyphenyl]methanone
CID 97315260
(1R,8S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
CID 95237463
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
CID 56799999
[(1S,4S)-2-azabicyclo[2.2.1]heptan-2-yl]-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanone
CID 98470572
[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-(2,6-dimethyl-4-pyridinyl)methanone
CID 72904462

Frequently Asked Questions

What is the IUPAC name of 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2,6-dimethyl-4-pyridinyl)methanone?
The IUPAC name of 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2,6-dimethyl-4-pyridinyl)methanone (CID 74233715) is 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2,6-dimethyl-4-pyridinyl)methanone.
What is the SMILES notation for 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2,6-dimethyl-4-pyridinyl)methanone?
The canonical SMILES for 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2,6-dimethyl-4-pyridinyl)methanone is Cc1cc(C(=O)N2CC3CC4CC(C3)CC2C4)cc(C)n1.
What is the InChIKey of 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2,6-dimethyl-4-pyridinyl)methanone?
The InChIKey is MZLVIAIMOVKDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-11-3-16(4-12(2)19-11)18(21)20-10-15-6-13-5-14(7-15)9-17(20)8-13/h3-4,13-15,17H,5-10H2,1-2H3.
What are the key properties of 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2,6-dimethyl-4-pyridinyl)methanone?
4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2,6-dimethyl-4-pyridinyl)methanone has a molecular weight of 284.40 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2,6-dimethyl-4-pyridinyl)methanone is sourced from PubChem (CID 74233715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).