N-methyl-N-(2-pyridin-4-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

C16H24N4O — CID 72671555

IUPACN-methyl-N-(2-pyridin-4-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESCN(CCc1ccncc1)C(=O)C1NNC2CCCCC21
InChIInChI=1S/C16H24N4O/c1-20(11-8-12-6-9-17-10-7-12)16(21)15-13-4-2-3-5-14(13)18-19-15/h6-7,9-10,13-15,18-19H,2-5,8,11H2,1H3
InChIKeyNWFZIFCYJKTVNU-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.12
Rot. Bonds4

About N-methyl-N-(2-pyridin-4-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

N-methyl-N-(2-pyridin-4-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (PubChem CID 72671555) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-methyl-N-(2-pyridin-4-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-pyridin-4-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
PubChem CID72671555
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-methyl-N-(2-pyridin-4-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESCN(CCc1ccncc1)C(=O)C1NNC2CCCCC21
InChIInChI=1S/C16H24N4O/c1-20(11-8-12-6-9-17-10-7-12)16(21)15-13-4-2-3-5-14(13)18-19-15/h6-7,9-10,13-15,18-19H,2-5,8,11H2,1H3
InChIKeyNWFZIFCYJKTVNU-UHFFFAOYSA-N
XLogP1.12
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-(2-pyridin-4-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide with MolForge

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Related Compounds

N-methyl-N-(2-pyridin-4-ylethyl)-1,2,3,3a,4,5,6,7,8,8a-decahydrocyclohepta[c]pyrazole-3-carboxamide
CID 75261208
N-methyl-N-(2-pyridin-4-ylethyl)piperidine-2-carboxamide;dihydrochloride
CID 119958462
N-methyl-N-(2-pyridin-4-ylethyl)thiolane-3-carboxamide
CID 110852600
N-methyl-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide
CID 110690019
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 73250913
N-methyl-N-(2-pyridin-4-ylethyl)oxane-3-carboxamide
CID 110852657
5-[methyl(2-pyridin-4-ylethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687831
N,1-dimethyl-N-(2-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 110852658
2-N-cyclohexyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109132403
4-hydroxy-N-methyl-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide
CID 54943679
N-cycloheptyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948907
2-(2-ethylpiperidin-1-yl)-N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide
CID 108985566

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (CID 72671555) is N-methyl-N-(2-pyridin-4-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-(2-pyridin-4-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-methyl-N-(2-pyridin-4-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is CN(CCc1ccncc1)C(=O)C1NNC2CCCCC21.
What is the InChIKey of N-methyl-N-(2-pyridin-4-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The InChIKey is NWFZIFCYJKTVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-20(11-8-12-6-9-17-10-7-12)16(21)15-13-4-2-3-5-14(13)18-19-15/h6-7,9-10,13-15,18-19H,2-5,8,11H2,1H3.
What are the key properties of N-methyl-N-(2-pyridin-4-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
N-methyl-N-(2-pyridin-4-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyridin-4-ylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 72671555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).