N-(2,5-dimethylpyrrol-1-yl)pyridin-4-amine

C11H13N3 — CID 19072359

IUPACN-(2,5-dimethylpyrrol-1-yl)pyridin-4-amine
SMILESCc1ccc(C)n1Nc1ccncc1
InChIInChI=1S/C11H13N3/c1-9-3-4-10(2)14(9)13-11-5-7-12-8-6-11/h3-8H,1-2H3,(H,12,13)
InChIKeyREAXHZMYNDHUPJ-UHFFFAOYSA-N
MW187.25 g/mol
LogP2.38
Rot. Bonds2

About N-(2,5-dimethylpyrrol-1-yl)pyridin-4-amine

N-(2,5-dimethylpyrrol-1-yl)pyridin-4-amine (PubChem CID 19072359) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is N-(2,5-dimethylpyrrol-1-yl)pyridin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimethylpyrrol-1-yl)pyridin-4-amine
PubChem CID19072359
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC NameN-(2,5-dimethylpyrrol-1-yl)pyridin-4-amine
SMILESCc1ccc(C)n1Nc1ccncc1
InChIInChI=1S/C11H13N3/c1-9-3-4-10(2)14(9)13-11-5-7-12-8-6-11/h3-8H,1-2H3,(H,12,13)
InChIKeyREAXHZMYNDHUPJ-UHFFFAOYSA-N
XLogP2.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrrol-1-yl)pyridin-4-amine?
The IUPAC name of N-(2,5-dimethylpyrrol-1-yl)pyridin-4-amine (CID 19072359) is N-(2,5-dimethylpyrrol-1-yl)pyridin-4-amine.
What is the SMILES notation for N-(2,5-dimethylpyrrol-1-yl)pyridin-4-amine?
The canonical SMILES for N-(2,5-dimethylpyrrol-1-yl)pyridin-4-amine is Cc1ccc(C)n1Nc1ccncc1.
What is the InChIKey of N-(2,5-dimethylpyrrol-1-yl)pyridin-4-amine?
The InChIKey is REAXHZMYNDHUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-9-3-4-10(2)14(9)13-11-5-7-12-8-6-11/h3-8H,1-2H3,(H,12,13).
What are the key properties of N-(2,5-dimethylpyrrol-1-yl)pyridin-4-amine?
N-(2,5-dimethylpyrrol-1-yl)pyridin-4-amine has a molecular weight of 187.25 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrrol-1-yl)pyridin-4-amine is sourced from PubChem (CID 19072359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).