2,5-dimethyl-N-(2-piperidin-3-ylethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride

C20H30Cl2N4O — CID 119557511

IUPAC2,5-dimethyl-N-(2-piperidin-3-ylethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride
SMILESCc1cc(C(=O)NCCC2CCCNC2)c(C)n1Cc1ccccn1.Cl.Cl
InChIInChI=1S/C20H28N4O.2ClH/c1-15-12-19(16(2)24(15)14-18-7-3-4-10-22-18)20(25)23-11-8-17-6-5-9-21-13-17;;/h3-4,7,10,12,17,21H,5-6,8-9,11,13-14H2,1-2H3,(H,23,25);2*1H
InChIKeyAVLPZAWZTKFQHL-UHFFFAOYSA-N
MW413.39 g/mol
LogP3.51
Rot. Bonds6

About 2,5-dimethyl-N-(2-piperidin-3-ylethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride

2,5-dimethyl-N-(2-piperidin-3-ylethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride (PubChem CID 119557511) has the molecular formula C20H30Cl2N4O and a molecular weight of 413.39 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-piperidin-3-ylethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-piperidin-3-ylethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride
PubChem CID119557511
Molecular FormulaC20H30Cl2N4O
Molecular Weight413.39 g/mol
Exact Mass412.18
IUPAC Name2,5-dimethyl-N-(2-piperidin-3-ylethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride
SMILESCc1cc(C(=O)NCCC2CCCNC2)c(C)n1Cc1ccccn1.Cl.Cl
InChIInChI=1S/C20H28N4O.2ClH/c1-15-12-19(16(2)24(15)14-18-7-3-4-10-22-18)20(25)23-11-8-17-6-5-9-21-13-17;;/h3-4,7,10,12,17,21H,5-6,8-9,11,13-14H2,1-2H3,(H,23,25);2*1H
InChIKeyAVLPZAWZTKFQHL-UHFFFAOYSA-N
XLogP3.51
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.39
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,5-dimethyl-N-(2-piperidin-3-ylethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride with MolForge

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Related Compounds

2,5-dimethyl-1-phenyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride
CID 119554950
1-cyclohexyl-2,5-dimethyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride
CID 119556387
N-(2-piperidin-3-ylethyl)-2-(pyridin-2-ylmethylsulfanyl)acetamide;dihydrochloride
CID 119556484
2,5-dimethyl-N-(4-methylcyclohexyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 39907744
2,5-dimethyl-N-(piperidin-3-ylmethyl)-1-pyridin-2-ylpyrrole-3-carboxamide
CID 119463102
N-(2-piperidin-3-ylethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119558250
N-(2-cyclopentylethyl)-2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3-carboxamide
CID 55564357
2-pyridin-2-yl-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63630243
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 78871414
2,5-dimethyl-N-piperidin-4-yl-N-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 119824888
N-[(4-chlorophenyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 39878072
2,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride
CID 119536671

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-piperidin-3-ylethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride?
The IUPAC name of 2,5-dimethyl-N-(2-piperidin-3-ylethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride (CID 119557511) is 2,5-dimethyl-N-(2-piperidin-3-ylethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride.
What is the SMILES notation for 2,5-dimethyl-N-(2-piperidin-3-ylethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride?
The canonical SMILES for 2,5-dimethyl-N-(2-piperidin-3-ylethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride is Cc1cc(C(=O)NCCC2CCCNC2)c(C)n1Cc1ccccn1.Cl.Cl.
What is the InChIKey of 2,5-dimethyl-N-(2-piperidin-3-ylethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride?
The InChIKey is AVLPZAWZTKFQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O.2ClH/c1-15-12-19(16(2)24(15)14-18-7-3-4-10-22-18)20(25)23-11-8-17-6-5-9-21-13-17;;/h3-4,7,10,12,17,21H,5-6,8-9,11,13-14H2,1-2H3,(H,23,25);2*1H.
What are the key properties of 2,5-dimethyl-N-(2-piperidin-3-ylethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride?
2,5-dimethyl-N-(2-piperidin-3-ylethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride has a molecular weight of 413.39 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-piperidin-3-ylethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119557511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).