N-propyl-N-pyrrol-1-ylpyridin-4-amine

C12H15N3 — CID 10845752

IUPACN-propyl-N-pyrrol-1-ylpyridin-4-amine
SMILESCCCN(c1ccncc1)n1cccc1
InChIInChI=1S/C12H15N3/c1-2-9-15(14-10-3-4-11-14)12-5-7-13-8-6-12/h3-8,10-11H,2,9H2,1H3
InChIKeyGXSYMWSGWUUGCO-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.56
Rot. Bonds4

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

N-propyl-N-pyrrol-1-ylpyridin-4-amine (PubChem CID 10845752) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-propyl-N-pyrrol-1-ylpyridin-4-amine.

Molecular Properties

Compound NameN-propyl-N-pyrrol-1-ylpyridin-4-amine
PubChem CID10845752
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC NameN-propyl-N-pyrrol-1-ylpyridin-4-amine
SMILESCCCN(c1ccncc1)n1cccc1
InChIInChI=1S/C12H15N3/c1-2-9-15(14-10-3-4-11-14)12-5-7-13-8-6-12/h3-8,10-11H,2,9H2,1H3
InChIKeyGXSYMWSGWUUGCO-UHFFFAOYSA-N
XLogP2.56
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyl-N-pyrrol-1-ylpyridin-4-amine?
The IUPAC name of N-propyl-N-pyrrol-1-ylpyridin-4-amine (CID 10845752) is N-propyl-N-pyrrol-1-ylpyridin-4-amine.
What is the SMILES notation for N-propyl-N-pyrrol-1-ylpyridin-4-amine?
The canonical SMILES for N-propyl-N-pyrrol-1-ylpyridin-4-amine is CCCN(c1ccncc1)n1cccc1.
What is the InChIKey of N-propyl-N-pyrrol-1-ylpyridin-4-amine?
The InChIKey is GXSYMWSGWUUGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-2-9-15(14-10-3-4-11-14)12-5-7-13-8-6-12/h3-8,10-11H,2,9H2,1H3.
What are the key properties of N-propyl-N-pyrrol-1-ylpyridin-4-amine?
N-propyl-N-pyrrol-1-ylpyridin-4-amine has a molecular weight of 201.27 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-pyrrol-1-ylpyridin-4-amine is sourced from PubChem (CID 10845752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).