6-(2,5-dihydropyrrol-1-yl)-4-methylpyridin-3-amine

C10H13N3 — CID 131019719

IUPAC6-(2,5-dihydropyrrol-1-yl)-4-methylpyridin-3-amine
SMILESCc1cc(N2CC=CC2)ncc1N
InChIInChI=1S/C10H13N3/c1-8-6-10(12-7-9(8)11)13-4-2-3-5-13/h2-3,6-7H,4-5,11H2,1H3
InChIKeyKCTNOJWMJYZBAS-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.35
Rot. Bonds1

About 6-(2,5-dihydropyrrol-1-yl)-4-methylpyridin-3-amine

6-(2,5-dihydropyrrol-1-yl)-4-methylpyridin-3-amine (PubChem CID 131019719) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 6-(2,5-dihydropyrrol-1-yl)-4-methylpyridin-3-amine.

Molecular Properties

Compound Name6-(2,5-dihydropyrrol-1-yl)-4-methylpyridin-3-amine
PubChem CID131019719
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name6-(2,5-dihydropyrrol-1-yl)-4-methylpyridin-3-amine
SMILESCc1cc(N2CC=CC2)ncc1N
InChIInChI=1S/C10H13N3/c1-8-6-10(12-7-9(8)11)13-4-2-3-5-13/h2-3,6-7H,4-5,11H2,1H3
InChIKeyKCTNOJWMJYZBAS-UHFFFAOYSA-N
XLogP1.35
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dihydropyrrol-1-yl)-4-methylpyridin-3-amine?
The IUPAC name of 6-(2,5-dihydropyrrol-1-yl)-4-methylpyridin-3-amine (CID 131019719) is 6-(2,5-dihydropyrrol-1-yl)-4-methylpyridin-3-amine.
What is the SMILES notation for 6-(2,5-dihydropyrrol-1-yl)-4-methylpyridin-3-amine?
The canonical SMILES for 6-(2,5-dihydropyrrol-1-yl)-4-methylpyridin-3-amine is Cc1cc(N2CC=CC2)ncc1N.
What is the InChIKey of 6-(2,5-dihydropyrrol-1-yl)-4-methylpyridin-3-amine?
The InChIKey is KCTNOJWMJYZBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-8-6-10(12-7-9(8)11)13-4-2-3-5-13/h2-3,6-7H,4-5,11H2,1H3.
What are the key properties of 6-(2,5-dihydropyrrol-1-yl)-4-methylpyridin-3-amine?
6-(2,5-dihydropyrrol-1-yl)-4-methylpyridin-3-amine has a molecular weight of 175.23 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dihydropyrrol-1-yl)-4-methylpyridin-3-amine is sourced from PubChem (CID 131019719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).