2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3H-pyrrole-5-carboxamide

C12H13N3O2 — CID 158880735

IUPAC2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3H-pyrrole-5-carboxamide
SMILESCc1cc(C2=NC(C(N)=O)=CC2)cn(C)c1=O
InChIInChI=1S/C12H13N3O2/c1-7-5-8(6-15(2)12(7)17)9-3-4-10(14-9)11(13)16/h4-6H,3H2,1-2H3,(H2,13,16)
InChIKeyJCZOUSOWXGIVCU-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.26
Rot. Bonds2

About 2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3H-pyrrole-5-carboxamide

2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3H-pyrrole-5-carboxamide (PubChem CID 158880735) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3H-pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3H-pyrrole-5-carboxamide
PubChem CID158880735
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3H-pyrrole-5-carboxamide
SMILESCc1cc(C2=NC(C(N)=O)=CC2)cn(C)c1=O
InChIInChI=1S/C12H13N3O2/c1-7-5-8(6-15(2)12(7)17)9-3-4-10(14-9)11(13)16/h4-6H,3H2,1-2H3,(H2,13,16)
InChIKeyJCZOUSOWXGIVCU-UHFFFAOYSA-N
XLogP0.26
TPSA77.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3H-pyrrole-5-carboxamide?
The IUPAC name of 2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3H-pyrrole-5-carboxamide (CID 158880735) is 2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3H-pyrrole-5-carboxamide.
What is the SMILES notation for 2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3H-pyrrole-5-carboxamide?
The canonical SMILES for 2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3H-pyrrole-5-carboxamide is Cc1cc(C2=NC(C(N)=O)=CC2)cn(C)c1=O.
What is the InChIKey of 2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3H-pyrrole-5-carboxamide?
The InChIKey is JCZOUSOWXGIVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-7-5-8(6-15(2)12(7)17)9-3-4-10(14-9)11(13)16/h4-6H,3H2,1-2H3,(H2,13,16).
What are the key properties of 2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3H-pyrrole-5-carboxamide?
2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3H-pyrrole-5-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3H-pyrrole-5-carboxamide is sourced from PubChem (CID 158880735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).