2,5-dimethyl-N-(piperidin-3-ylmethyl)-1-pyridin-2-ylpyrrole-3-carboxamide

C18H24N4O — CID 119463102

IUPAC2,5-dimethyl-N-(piperidin-3-ylmethyl)-1-pyridin-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCCNC2)c(C)n1-c1ccccn1
InChIInChI=1S/C18H24N4O/c1-13-10-16(14(2)22(13)17-7-3-4-9-20-17)18(23)21-12-15-6-5-8-19-11-15/h3-4,7,9-10,15,19H,5-6,8,11-12H2,1-2H3,(H,21,23)
InChIKeyHUPZTUPDJDLFQC-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.22
Rot. Bonds4

About 2,5-dimethyl-N-(piperidin-3-ylmethyl)-1-pyridin-2-ylpyrrole-3-carboxamide

2,5-dimethyl-N-(piperidin-3-ylmethyl)-1-pyridin-2-ylpyrrole-3-carboxamide (PubChem CID 119463102) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2,5-dimethyl-N-(piperidin-3-ylmethyl)-1-pyridin-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(piperidin-3-ylmethyl)-1-pyridin-2-ylpyrrole-3-carboxamide
PubChem CID119463102
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2,5-dimethyl-N-(piperidin-3-ylmethyl)-1-pyridin-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC2CCCNC2)c(C)n1-c1ccccn1
InChIInChI=1S/C18H24N4O/c1-13-10-16(14(2)22(13)17-7-3-4-9-20-17)18(23)21-12-15-6-5-8-19-11-15/h3-4,7,9-10,15,19H,5-6,8,11-12H2,1-2H3,(H,21,23)
InChIKeyHUPZTUPDJDLFQC-UHFFFAOYSA-N
XLogP2.22
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.22
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

2,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide
CID 119459788
2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide;hydrochloride
CID 119461980
2-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 119462332
[2-(cyclopropylmethylamino)-2-oxoethyl] 2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxylate
CID 71896912
2,5-dimethyl-N-[2-(methylamino)propyl]-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride
CID 120831614
N-[(2R)-2-(ethylamino)propyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride
CID 120654138
2,5-dimethyl-1-phenyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride
CID 119554950
2,5-dimethyl-N-(3-piperazin-1-ylpropyl)-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride
CID 119393360
2,5-dimethyl-N-(2-piperidin-3-ylethyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride
CID 119557511
N-(3-amino-2-methylpropyl)-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 119996973
2-iodo-5-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 119461515
2,5-dimethyl-N-(2-methylpiperidin-4-yl)-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride
CID 120600445

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(piperidin-3-ylmethyl)-1-pyridin-2-ylpyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(piperidin-3-ylmethyl)-1-pyridin-2-ylpyrrole-3-carboxamide (CID 119463102) is 2,5-dimethyl-N-(piperidin-3-ylmethyl)-1-pyridin-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(piperidin-3-ylmethyl)-1-pyridin-2-ylpyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(piperidin-3-ylmethyl)-1-pyridin-2-ylpyrrole-3-carboxamide is Cc1cc(C(=O)NCC2CCCNC2)c(C)n1-c1ccccn1.
What is the InChIKey of 2,5-dimethyl-N-(piperidin-3-ylmethyl)-1-pyridin-2-ylpyrrole-3-carboxamide?
The InChIKey is HUPZTUPDJDLFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13-10-16(14(2)22(13)17-7-3-4-9-20-17)18(23)21-12-15-6-5-8-19-11-15/h3-4,7,9-10,15,19H,5-6,8,11-12H2,1-2H3,(H,21,23).
What are the key properties of 2,5-dimethyl-N-(piperidin-3-ylmethyl)-1-pyridin-2-ylpyrrole-3-carboxamide?
2,5-dimethyl-N-(piperidin-3-ylmethyl)-1-pyridin-2-ylpyrrole-3-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(piperidin-3-ylmethyl)-1-pyridin-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 119463102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).