N-(2-chloropyrrol-1-yl)-N-propylpyridin-4-amine

C12H14ClN3 — CID 10585860

IUPACN-(2-chloropyrrol-1-yl)-N-propylpyridin-4-amine
SMILESCCCN(c1ccncc1)n1cccc1Cl
InChIInChI=1S/C12H14ClN3/c1-2-9-15(11-5-7-14-8-6-11)16-10-3-4-12(16)13/h3-8,10H,2,9H2,1H3
InChIKeyDXUBLNCNQLMUAY-UHFFFAOYSA-N
MW235.72 g/mol
LogP3.22
Rot. Bonds4

About N-(2-chloropyrrol-1-yl)-N-propylpyridin-4-amine

N-(2-chloropyrrol-1-yl)-N-propylpyridin-4-amine (PubChem CID 10585860) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is N-(2-chloropyrrol-1-yl)-N-propylpyridin-4-amine.

Molecular Properties

Compound NameN-(2-chloropyrrol-1-yl)-N-propylpyridin-4-amine
PubChem CID10585860
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC NameN-(2-chloropyrrol-1-yl)-N-propylpyridin-4-amine
SMILESCCCN(c1ccncc1)n1cccc1Cl
InChIInChI=1S/C12H14ClN3/c1-2-9-15(11-5-7-14-8-6-11)16-10-3-4-12(16)13/h3-8,10H,2,9H2,1H3
InChIKeyDXUBLNCNQLMUAY-UHFFFAOYSA-N
XLogP3.22
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloropyrrol-1-yl)-N-propylpyridin-4-amine?
The IUPAC name of N-(2-chloropyrrol-1-yl)-N-propylpyridin-4-amine (CID 10585860) is N-(2-chloropyrrol-1-yl)-N-propylpyridin-4-amine.
What is the SMILES notation for N-(2-chloropyrrol-1-yl)-N-propylpyridin-4-amine?
The canonical SMILES for N-(2-chloropyrrol-1-yl)-N-propylpyridin-4-amine is CCCN(c1ccncc1)n1cccc1Cl.
What is the InChIKey of N-(2-chloropyrrol-1-yl)-N-propylpyridin-4-amine?
The InChIKey is DXUBLNCNQLMUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-2-9-15(11-5-7-14-8-6-11)16-10-3-4-12(16)13/h3-8,10H,2,9H2,1H3.
What are the key properties of N-(2-chloropyrrol-1-yl)-N-propylpyridin-4-amine?
N-(2-chloropyrrol-1-yl)-N-propylpyridin-4-amine has a molecular weight of 235.72 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropyrrol-1-yl)-N-propylpyridin-4-amine is sourced from PubChem (CID 10585860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).