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

C19H30Cl2N4O — CID 119841546

IUPACN-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCc1ccnc(N2CCCC2)c1)C1CC2CCCCC2N1
InChIInChI=1S/C19H28N4O.2ClH/c24-19(17-12-15-5-1-2-6-16(15)22-17)21-13-14-7-8-20-18(11-14)23-9-3-4-10-23;;/h7-8,11,15-17,22H,1-6,9-10,12-13H2,(H,21,24);2*1H
InChIKeyBPTBHMLAXBZOHV-UHFFFAOYSA-N
MW401.38 g/mol
LogP3.06
Rot. Bonds4

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

N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride (PubChem CID 119841546) has the molecular formula C19H30Cl2N4O and a molecular weight of 401.38 g/mol. Its IUPAC name is N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
PubChem CID119841546
Molecular FormulaC19H30Cl2N4O
Molecular Weight401.38 g/mol
Exact Mass400.18
IUPAC NameN-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCc1ccnc(N2CCCC2)c1)C1CC2CCCCC2N1
InChIInChI=1S/C19H28N4O.2ClH/c24-19(17-12-15-5-1-2-6-16(15)22-17)21-13-14-7-8-20-18(11-14)23-9-3-4-10-23;;/h7-8,11,15-17,22H,1-6,9-10,12-13H2,(H,21,24);2*1H
InChIKeyBPTBHMLAXBZOHV-UHFFFAOYSA-N
XLogP3.06
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.38
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119839468
3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119841536
N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119847897
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119836209
3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119841355
N-[[3-(pyrrolidine-1-carbonylamino)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119300488
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119848273
N-[(4-pyrazol-1-ylphenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119290424
N-[[3-(hydroxymethyl)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 103796363
N-[(3-chlorophenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43515239
N-[(3-ethoxyphenyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119284495
N-[(1-methylpyrazol-4-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119304104

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride?
The IUPAC name of N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride (CID 119841546) is N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NCc1ccnc(N2CCCC2)c1)C1CC2CCCCC2N1.
What is the InChIKey of N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride?
The InChIKey is BPTBHMLAXBZOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O.2ClH/c24-19(17-12-15-5-1-2-6-16(15)22-17)21-13-14-7-8-20-18(11-14)23-9-3-4-10-23;;/h7-8,11,15-17,22H,1-6,9-10,12-13H2,(H,21,24);2*1H.
What are the key properties of N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride?
N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride has a molecular weight of 401.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119841546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).