N-[5-(dimethylamino)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride

C16H26Cl2N4O — CID 119863170

IUPACN-[5-(dimethylamino)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
SMILESCN(C)c1ccc(NC(=O)C2CC3CCCCC3N2)nc1.Cl.Cl
InChIInChI=1S/C16H24N4O.2ClH/c1-20(2)12-7-8-15(17-10-12)19-16(21)14-9-11-5-3-4-6-13(11)18-14;;/h7-8,10-11,13-14,18H,3-6,9H2,1-2H3,(H,17,19,21);2*1H
InChIKeyLJJPUDXFQADTFC-UHFFFAOYSA-N
MW361.32 g/mol
LogP2.85
Rot. Bonds3

About N-[5-(dimethylamino)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride

N-[5-(dimethylamino)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride (PubChem CID 119863170) has the molecular formula C16H26Cl2N4O and a molecular weight of 361.32 g/mol. Its IUPAC name is N-[5-(dimethylamino)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[5-(dimethylamino)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
PubChem CID119863170
Molecular FormulaC16H26Cl2N4O
Molecular Weight361.32 g/mol
Exact Mass360.15
IUPAC NameN-[5-(dimethylamino)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
SMILESCN(C)c1ccc(NC(=O)C2CC3CCCCC3N2)nc1.Cl.Cl
InChIInChI=1S/C16H24N4O.2ClH/c1-20(2)12-7-8-15(17-10-12)19-16(21)14-9-11-5-3-4-6-13(11)18-14;;/h7-8,10-11,13-14,18H,3-6,9H2,1-2H3,(H,17,19,21);2*1H
InChIKeyLJJPUDXFQADTFC-UHFFFAOYSA-N
XLogP2.85
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-(dimethylamino)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride with MolForge

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Related Compounds

N-(6-methyl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119827443
N-(5-morpholin-4-yl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119842000
N-(5-methyl-2-pyridinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66469561
N-(5-bromo-4-methyl-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 79733920
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119885308
1-acetyl-N-[5-(dimethylamino)-2-pyridinyl]piperidine-2-carboxamide
CID 167862943
N-(3-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119876308
N-[5-(dimethylamino)-2-pyridinyl]morpholine-3-carboxamide;dihydrochloride
CID 119863150
N-(1-methylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119292200
N-(4-methyl-1H-pyrazol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 104618960
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119286914
N-(3,5-dimethylphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119263211

Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylamino)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride?
The IUPAC name of N-[5-(dimethylamino)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride (CID 119863170) is N-[5-(dimethylamino)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[5-(dimethylamino)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[5-(dimethylamino)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride is CN(C)c1ccc(NC(=O)C2CC3CCCCC3N2)nc1.Cl.Cl.
What is the InChIKey of N-[5-(dimethylamino)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride?
The InChIKey is LJJPUDXFQADTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O.2ClH/c1-20(2)12-7-8-15(17-10-12)19-16(21)14-9-11-5-3-4-6-13(11)18-14;;/h7-8,10-11,13-14,18H,3-6,9H2,1-2H3,(H,17,19,21);2*1H.
What are the key properties of N-[5-(dimethylamino)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride?
N-[5-(dimethylamino)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride has a molecular weight of 361.32 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylamino)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119863170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).