N-butyl-N-pyrrol-1-ylpyridin-4-amine

C13H17N3 — CID 10036231

IUPACN-butyl-N-pyrrol-1-ylpyridin-4-amine
SMILESCCCCN(c1ccncc1)n1cccc1
InChIInChI=1S/C13H17N3/c1-2-3-12-16(15-10-4-5-11-15)13-6-8-14-9-7-13/h4-11H,2-3,12H2,1H3
InChIKeyDWQZFWPOZIFTRB-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.95
Rot. Bonds5

About N-butyl-N-pyrrol-1-ylpyridin-4-amine

N-butyl-N-pyrrol-1-ylpyridin-4-amine (PubChem CID 10036231) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-butyl-N-pyrrol-1-ylpyridin-4-amine.

Molecular Properties

Compound NameN-butyl-N-pyrrol-1-ylpyridin-4-amine
PubChem CID10036231
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-butyl-N-pyrrol-1-ylpyridin-4-amine
SMILESCCCCN(c1ccncc1)n1cccc1
InChIInChI=1S/C13H17N3/c1-2-3-12-16(15-10-4-5-11-15)13-6-8-14-9-7-13/h4-11H,2-3,12H2,1H3
InChIKeyDWQZFWPOZIFTRB-UHFFFAOYSA-N
XLogP2.95
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-pyrrol-1-ylpyridin-4-amine?
The IUPAC name of N-butyl-N-pyrrol-1-ylpyridin-4-amine (CID 10036231) is N-butyl-N-pyrrol-1-ylpyridin-4-amine.
What is the SMILES notation for N-butyl-N-pyrrol-1-ylpyridin-4-amine?
The canonical SMILES for N-butyl-N-pyrrol-1-ylpyridin-4-amine is CCCCN(c1ccncc1)n1cccc1.
What is the InChIKey of N-butyl-N-pyrrol-1-ylpyridin-4-amine?
The InChIKey is DWQZFWPOZIFTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-2-3-12-16(15-10-4-5-11-15)13-6-8-14-9-7-13/h4-11H,2-3,12H2,1H3.
What are the key properties of N-butyl-N-pyrrol-1-ylpyridin-4-amine?
N-butyl-N-pyrrol-1-ylpyridin-4-amine has a molecular weight of 215.30 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-pyrrol-1-ylpyridin-4-amine is sourced from PubChem (CID 10036231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).