2,5-dimethyl-N-(2-methylpiperidin-4-yl)-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride

C18H26Cl2N4O — CID 120600445

IUPAC2,5-dimethyl-N-(2-methylpiperidin-4-yl)-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride
SMILESCc1cc(C(=O)NC2CCNC(C)C2)c(C)n1-c1ccccn1.Cl.Cl
InChIInChI=1S/C18H24N4O.2ClH/c1-12-10-15(7-9-19-12)21-18(23)16-11-13(2)22(14(16)3)17-6-4-5-8-20-17;;/h4-6,8,11-12,15,19H,7,9-10H2,1-3H3,(H,21,23);2*1H
InChIKeyJIFKYLGIOUOIHO-UHFFFAOYSA-N
MW385.34 g/mol
LogP3.20
Rot. Bonds3

About 2,5-dimethyl-N-(2-methylpiperidin-4-yl)-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride

2,5-dimethyl-N-(2-methylpiperidin-4-yl)-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride (PubChem CID 120600445) has the molecular formula C18H26Cl2N4O and a molecular weight of 385.34 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-methylpiperidin-4-yl)-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-methylpiperidin-4-yl)-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride
PubChem CID120600445
Molecular FormulaC18H26Cl2N4O
Molecular Weight385.34 g/mol
Exact Mass384.15
IUPAC Name2,5-dimethyl-N-(2-methylpiperidin-4-yl)-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride
SMILESCc1cc(C(=O)NC2CCNC(C)C2)c(C)n1-c1ccccn1.Cl.Cl
InChIInChI=1S/C18H24N4O.2ClH/c1-12-10-15(7-9-19-12)21-18(23)16-11-13(2)22(14(16)3)17-6-4-5-8-20-17;;/h4-6,8,11-12,15,19H,7,9-10H2,1-3H3,(H,21,23);2*1H
InChIKeyJIFKYLGIOUOIHO-UHFFFAOYSA-N
XLogP3.20
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-2,5-dimethyl-N-(2-methylpiperidin-4-yl)pyrrole-3-carboxamide
CID 120602268
(2,3-dimethylpiperazin-1-yl)-(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)methanone
CID 120571350
2,5-dimethyl-N-(piperidin-3-ylmethyl)-1-pyridin-2-ylpyrrole-3-carboxamide
CID 119463102
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55949930
3-methyl-N-(2-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 106995373
2,5-dimethyl-1-(2-methylphenyl)-N-piperidin-4-ylpyrrole-3-carboxamide;hydrochloride
CID 119390059
2,5-dimethyl-1-(2-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide;hydrochloride
CID 119453913
2,5-dimethyl-N-[2-(methylamino)propyl]-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride
CID 120831614
3-methyl-N-(2-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 120598744
(2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)methanone
CID 55931165
2-iodo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995591
N-[(2S)-1-aminopropan-2-yl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride
CID 120509004

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-methylpiperidin-4-yl)-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride?
The IUPAC name of 2,5-dimethyl-N-(2-methylpiperidin-4-yl)-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride (CID 120600445) is 2,5-dimethyl-N-(2-methylpiperidin-4-yl)-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride.
What is the SMILES notation for 2,5-dimethyl-N-(2-methylpiperidin-4-yl)-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride?
The canonical SMILES for 2,5-dimethyl-N-(2-methylpiperidin-4-yl)-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride is Cc1cc(C(=O)NC2CCNC(C)C2)c(C)n1-c1ccccn1.Cl.Cl.
What is the InChIKey of 2,5-dimethyl-N-(2-methylpiperidin-4-yl)-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride?
The InChIKey is JIFKYLGIOUOIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.2ClH/c1-12-10-15(7-9-19-12)21-18(23)16-11-13(2)22(14(16)3)17-6-4-5-8-20-17;;/h4-6,8,11-12,15,19H,7,9-10H2,1-3H3,(H,21,23);2*1H.
What are the key properties of 2,5-dimethyl-N-(2-methylpiperidin-4-yl)-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride?
2,5-dimethyl-N-(2-methylpiperidin-4-yl)-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride has a molecular weight of 385.34 g/mol, XLogP of 3.20, 3 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-methylpiperidin-4-yl)-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120600445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).