3-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)azulene-1-carboxamide

C20H24N2O — CID 54290724

IUPAC3-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)azulene-1-carboxamide
SMILESCc1cc(C(=O)NC2CC3CCC(C2)N3C)c2cccccc1-2
InChIInChI=1S/C20H24N2O/c1-13-10-19(18-7-5-3-4-6-17(13)18)20(23)21-14-11-15-8-9-16(12-14)22(15)2/h3-7,10,14-16H,8-9,11-12H2,1-2H3,(H,21,23)
InChIKeyRXHXXYMKBIUUQD-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.45
Rot. Bonds2

About 3-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)azulene-1-carboxamide

3-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)azulene-1-carboxamide (PubChem CID 54290724) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 3-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)azulene-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)azulene-1-carboxamide
PubChem CID54290724
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name3-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)azulene-1-carboxamide
SMILESCc1cc(C(=O)NC2CC3CCC(C2)N3C)c2cccccc1-2
InChIInChI=1S/C20H24N2O/c1-13-10-19(18-7-5-3-4-6-17(13)18)20(23)21-14-11-15-8-9-16(12-14)22(15)2/h3-7,10,14-16H,8-9,11-12H2,1-2H3,(H,21,23)
InChIKeyRXHXXYMKBIUUQD-UHFFFAOYSA-N
XLogP3.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
CID 126477922
5-amino-2-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide;dihydrochloride
CID 120647242
3-methoxy-2-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide
CID 18988176
N-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 10086797
2-(1,3-dimethylpyrazol-4-yl)-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)quinoline-4-carboxamide
CID 19511932
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamic acid
CID 67915994
2,3-dimethoxy-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 13053662
N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
CID 10714015
N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2-phenylsulfanylacetamide
CID 11859507
2-(2-fluorophenyl)-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 11888542
methyl 3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]indolizine-1-carboxylate
CID 21245060
4-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 139083931

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)azulene-1-carboxamide?
The IUPAC name of 3-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)azulene-1-carboxamide (CID 54290724) is 3-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)azulene-1-carboxamide.
What is the SMILES notation for 3-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)azulene-1-carboxamide?
The canonical SMILES for 3-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)azulene-1-carboxamide is Cc1cc(C(=O)NC2CC3CCC(C2)N3C)c2cccccc1-2.
What is the InChIKey of 3-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)azulene-1-carboxamide?
The InChIKey is RXHXXYMKBIUUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-13-10-19(18-7-5-3-4-6-17(13)18)20(23)21-14-11-15-8-9-16(12-14)22(15)2/h3-7,10,14-16H,8-9,11-12H2,1-2H3,(H,21,23).
What are the key properties of 3-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)azulene-1-carboxamide?
3-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)azulene-1-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)azulene-1-carboxamide is sourced from PubChem (CID 54290724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).