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

C19H31Cl2N3O — CID 119899980

IUPACN-(3-methyl-2-pyridin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
SMILESCC(C)C(CNC(=O)C1CC2CCCCC2N1)c1cccnc1.Cl.Cl
InChIInChI=1S/C19H29N3O.2ClH/c1-13(2)16(15-7-5-9-20-11-15)12-21-19(23)18-10-14-6-3-4-8-17(14)22-18;;/h5,7,9,11,13-14,16-18,22H,3-4,6,8,10,12H2,1-2H3,(H,21,23);2*1H
InChIKeyFLPNQQZRSOYBPF-UHFFFAOYSA-N
MW388.38 g/mol
LogP3.70
Rot. Bonds5

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

N-(3-methyl-2-pyridin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride (PubChem CID 119899980) has the molecular formula C19H31Cl2N3O and a molecular weight of 388.38 g/mol. Its IUPAC name is N-(3-methyl-2-pyridin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(3-methyl-2-pyridin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
PubChem CID119899980
Molecular FormulaC19H31Cl2N3O
Molecular Weight388.38 g/mol
Exact Mass387.18
IUPAC NameN-(3-methyl-2-pyridin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
SMILESCC(C)C(CNC(=O)C1CC2CCCCC2N1)c1cccnc1.Cl.Cl
InChIInChI=1S/C19H29N3O.2ClH/c1-13(2)16(15-7-5-9-20-11-15)12-21-19(23)18-10-14-6-3-4-8-17(14)22-18;;/h5,7,9,11,13-14,16-18,22H,3-4,6,8,10,12H2,1-2H3,(H,21,23);2*1H
InChIKeyFLPNQQZRSOYBPF-UHFFFAOYSA-N
XLogP3.70
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-methyl-2-pyridin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride with MolForge

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43500062
N-(2-methoxy-2-phenylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119278884
N-(3-methyl-2-pyridin-3-ylbutyl)morpholine-3-carboxamide;dihydrochloride
CID 119899958
N-[(4-methyl-3-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 114956070
N-(3-methyl-4-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119876308
N-(4-hydroxy-2-methylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 66089268
N-[3-(1-phenylethoxy)propyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119273555
propan-2-yl 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)-2-methylpropanoate
CID 119338446
N-(4-hydroxy-4-phenylbutan-2-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119337585
N-(2-hydroxy-4,4-dimethylpentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119328909
3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)-2-hydroxypropanoic acid
CID 66167372
N-(2-phenylsulfanylethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119272240

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride?
The IUPAC name of N-(3-methyl-2-pyridin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride (CID 119899980) is N-(3-methyl-2-pyridin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-(3-methyl-2-pyridin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride?
The canonical SMILES for N-(3-methyl-2-pyridin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride is CC(C)C(CNC(=O)C1CC2CCCCC2N1)c1cccnc1.Cl.Cl.
What is the InChIKey of N-(3-methyl-2-pyridin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride?
The InChIKey is FLPNQQZRSOYBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O.2ClH/c1-13(2)16(15-7-5-9-20-11-15)12-21-19(23)18-10-14-6-3-4-8-17(14)22-18;;/h5,7,9,11,13-14,16-18,22H,3-4,6,8,10,12H2,1-2H3,(H,21,23);2*1H.
What are the key properties of N-(3-methyl-2-pyridin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride?
N-(3-methyl-2-pyridin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride has a molecular weight of 388.38 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119899980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).