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

C16H23N3O — CID 43564520

IUPACN-methyl-N-(pyridin-4-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCN(Cc1ccncc1)C(=O)C1CC2CCCCC2N1
InChIInChI=1S/C16H23N3O/c1-19(11-12-6-8-17-9-7-12)16(20)15-10-13-4-2-3-5-14(13)18-15/h6-9,13-15,18H,2-5,10-11H2,1H3
InChIKeyZVFOUHPUFDKCAD-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.96
Rot. Bonds3

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

N-methyl-N-(pyridin-4-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 43564520) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-methyl-N-(pyridin-4-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(pyridin-4-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID43564520
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-methyl-N-(pyridin-4-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCN(Cc1ccncc1)C(=O)C1CC2CCCCC2N1
InChIInChI=1S/C16H23N3O/c1-19(11-12-6-8-17-9-7-12)16(20)15-10-13-4-2-3-5-14(13)18-15/h6-9,13-15,18H,2-5,10-11H2,1H3
InChIKeyZVFOUHPUFDKCAD-UHFFFAOYSA-N
XLogP1.96
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[(4-methylsulfinylphenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119337338
N-[(4-ethoxyphenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119266748
N-[(3-hydroxyphenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 60954154
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119834044
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119279464
N-[(2-fluorophenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43579164
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119297056
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119958215
N-[(2-chlorophenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119267603
N-[(2-methoxyphenyl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119266864
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119853701
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119836304

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyridin-4-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-methyl-N-(pyridin-4-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 43564520) is N-methyl-N-(pyridin-4-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-methyl-N-(pyridin-4-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-methyl-N-(pyridin-4-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is CN(Cc1ccncc1)C(=O)C1CC2CCCCC2N1.
What is the InChIKey of N-methyl-N-(pyridin-4-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is ZVFOUHPUFDKCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-19(11-12-6-8-17-9-7-12)16(20)15-10-13-4-2-3-5-14(13)18-15/h6-9,13-15,18H,2-5,10-11H2,1H3.
What are the key properties of N-methyl-N-(pyridin-4-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-methyl-N-(pyridin-4-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyridin-4-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 43564520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).