N-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-1-methylindazole-3-carboxamide

C18H24N4O — CID 121413863

IUPACN-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)NC2C3CCN(CC3)C2(C)C)c2ccccc21
InChIInChI=1S/C18H24N4O/c1-18(2)16(12-8-10-22(18)11-9-12)19-17(23)15-13-6-4-5-7-14(13)21(3)20-15/h4-7,12,16H,8-11H2,1-3H3,(H,19,23)
InChIKeyJFQWYTUORZXRTK-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.18
Rot. Bonds2

About N-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-1-methylindazole-3-carboxamide

N-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-1-methylindazole-3-carboxamide (PubChem CID 121413863) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-1-methylindazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-1-methylindazole-3-carboxamide
PubChem CID121413863
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-1-methylindazole-3-carboxamide
SMILESCn1nc(C(=O)NC2C3CCN(CC3)C2(C)C)c2ccccc21
InChIInChI=1S/C18H24N4O/c1-18(2)16(12-8-10-22(18)11-9-12)19-17(23)15-13-6-4-5-7-14(13)21(3)20-15/h4-7,12,16H,8-11H2,1-3H3,(H,19,23)
InChIKeyJFQWYTUORZXRTK-UHFFFAOYSA-N
XLogP2.18
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(4-oxocyclohexyl)indazole-3-carboxamide
CID 103118179
N-[(1R,2R)-2-hydroxycyclohexyl]-1-methylindazole-3-carboxamide
CID 103120378
N-(2-hydroxycyclohexyl)-1-methylindazole-3-carboxamide
CID 103120150
N-(2-aminocyclopropyl)-1-methylindazole-3-carboxamide
CID 103120569
1-methyl-N-(4-methylpyrrolidin-3-yl)indazole-3-carboxamide
CID 103117381
1-methyl-N-[(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;hydrochloride
CID 6918003
N-(4-chloro-1,1-dioxothiolan-3-yl)-1-methylindazole-3-carboxamide
CID 103119724
2-[(1R,5S)-3-[(1-methylindazole-3-carbonyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]acetic acid
CID 101096898
N-(2-bromo-4-methylidenecyclohexyl)-1-methylindazole-3-carboxamide
CID 91413748
1-methyl-N-(9-methyl-1-azatricyclo[4.3.0.02,9]nonan-4-yl)indazole-3-carboxamide
CID 163714881
cyclobutyl-(1-methylindazol-3-yl)methanone
CID 103125487
1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]indazole-3-carboxamide;sulfuric acid
CID 46912690

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-1-methylindazole-3-carboxamide?
The IUPAC name of N-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-1-methylindazole-3-carboxamide (CID 121413863) is N-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-1-methylindazole-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-1-methylindazole-3-carboxamide?
The canonical SMILES for N-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-1-methylindazole-3-carboxamide is Cn1nc(C(=O)NC2C3CCN(CC3)C2(C)C)c2ccccc21.
What is the InChIKey of N-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-1-methylindazole-3-carboxamide?
The InChIKey is JFQWYTUORZXRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-18(2)16(12-8-10-22(18)11-9-12)19-17(23)15-13-6-4-5-7-14(13)21(3)20-15/h4-7,12,16H,8-11H2,1-3H3,(H,19,23).
What are the key properties of N-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-1-methylindazole-3-carboxamide?
N-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-1-methylindazole-3-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1-azabicyclo[2.2.2]octan-3-yl)-1-methylindazole-3-carboxamide is sourced from PubChem (CID 121413863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).