1-[methyl(pyridin-4-yl)amino]pyrrole-2-carbaldehyde

C11H11N3O — CID 10631898

IUPAC1-[methyl(pyridin-4-yl)amino]pyrrole-2-carbaldehyde
SMILESCN(c1ccncc1)n1cccc1C=O
InChIInChI=1S/C11H11N3O/c1-13(10-4-6-12-7-5-10)14-8-2-3-11(14)9-15/h2-9H,1H3
InChIKeyTUHQKPAWABMJBR-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.60
Rot. Bonds3

About 1-[methyl(pyridin-4-yl)amino]pyrrole-2-carbaldehyde

1-[methyl(pyridin-4-yl)amino]pyrrole-2-carbaldehyde (PubChem CID 10631898) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-[methyl(pyridin-4-yl)amino]pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name1-[methyl(pyridin-4-yl)amino]pyrrole-2-carbaldehyde
PubChem CID10631898
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name1-[methyl(pyridin-4-yl)amino]pyrrole-2-carbaldehyde
SMILESCN(c1ccncc1)n1cccc1C=O
InChIInChI=1S/C11H11N3O/c1-13(10-4-6-12-7-5-10)14-8-2-3-11(14)9-15/h2-9H,1H3
InChIKeyTUHQKPAWABMJBR-UHFFFAOYSA-N
XLogP1.60
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl(pyridin-4-yl)amino]pyrrole-2-carbaldehyde?
The IUPAC name of 1-[methyl(pyridin-4-yl)amino]pyrrole-2-carbaldehyde (CID 10631898) is 1-[methyl(pyridin-4-yl)amino]pyrrole-2-carbaldehyde.
What is the SMILES notation for 1-[methyl(pyridin-4-yl)amino]pyrrole-2-carbaldehyde?
The canonical SMILES for 1-[methyl(pyridin-4-yl)amino]pyrrole-2-carbaldehyde is CN(c1ccncc1)n1cccc1C=O.
What is the InChIKey of 1-[methyl(pyridin-4-yl)amino]pyrrole-2-carbaldehyde?
The InChIKey is TUHQKPAWABMJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-13(10-4-6-12-7-5-10)14-8-2-3-11(14)9-15/h2-9H,1H3.
What are the key properties of 1-[methyl(pyridin-4-yl)amino]pyrrole-2-carbaldehyde?
1-[methyl(pyridin-4-yl)amino]pyrrole-2-carbaldehyde has a molecular weight of 201.23 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(pyridin-4-yl)amino]pyrrole-2-carbaldehyde is sourced from PubChem (CID 10631898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).