N,2-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide

C20H25N3O — CID 96576738

IUPACN,2-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCN(C(=O)c1c2c(nn1C)CCCC2)[C@H]1CCCc2ccccc21
InChIInChI=1S/C20H25N3O/c1-22(18-13-7-9-14-8-3-4-10-15(14)18)20(24)19-16-11-5-6-12-17(16)21-23(19)2/h3-4,8,10,18H,5-7,9,11-13H2,1-2H3/t18-/m0/s1
InChIKeyAMJVOUQQVFWRIV-SFHVURJKSA-N
MW323.44 g/mol
LogP3.45
Rot. Bonds2

About N,2-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide

N,2-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 96576738) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N,2-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID96576738
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN,2-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCN(C(=O)c1c2c(nn1C)CCCC2)[C@H]1CCCc2ccccc21
InChIInChI=1S/C20H25N3O/c1-22(18-13-7-9-14-8-3-4-10-15(14)18)20(24)19-16-11-5-6-12-17(16)21-23(19)2/h3-4,8,10,18H,5-7,9,11-13H2,1-2H3/t18-/m0/s1
InChIKeyAMJVOUQQVFWRIV-SFHVURJKSA-N
XLogP3.45
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-(2-hydroxyethyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 51594713
N,2-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 134791703
N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 42916496
N,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42884040
N,6-dimethyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3-carboxamide
CID 31121176
N,3-dimethyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinazoline-7-carboxamide
CID 70780313
2-imidazol-1-yl-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-4-carboxamide
CID 94816782
2-bromo-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 103754184
N,3-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 94823990
N,6-dimethyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyridine-3-carboxamide
CID 86768777
4-(dimethylsulfamoyl)-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 30875842
6-(2-hydroxyethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 74233515

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of N,2-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 96576738) is N,2-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for N,2-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide is CN(C(=O)c1c2c(nn1C)CCCC2)[C@H]1CCCc2ccccc21.
What is the InChIKey of N,2-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is AMJVOUQQVFWRIV-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25N3O/c1-22(18-13-7-9-14-8-3-4-10-15(14)18)20(24)19-16-11-5-6-12-17(16)21-23(19)2/h3-4,8,10,18H,5-7,9,11-13H2,1-2H3/t18-/m0/s1.
What are the key properties of N,2-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
N,2-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 96576738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).