2-[4-(5-methylfuran-2-yl)phenyl]-N,N-dipropylpyridin-3-amine

C22H26N2O — CID 144782527

IUPAC2-[4-(5-methylfuran-2-yl)phenyl]-N,N-dipropylpyridin-3-amine
SMILESCCCN(CCC)c1cccnc1-c1ccc(-c2ccc(C)o2)cc1
InChIInChI=1S/C22H26N2O/c1-4-15-24(16-5-2)20-7-6-14-23-22(20)19-11-9-18(10-12-19)21-13-8-17(3)25-21/h6-14H,4-5,15-16H2,1-3H3
InChIKeyQYYJKVWCIJTDNH-UHFFFAOYSA-N
MW334.46 g/mol
LogP5.94
Rot. Bonds7

About 2-[4-(5-methylfuran-2-yl)phenyl]-N,N-dipropylpyridin-3-amine

2-[4-(5-methylfuran-2-yl)phenyl]-N,N-dipropylpyridin-3-amine (PubChem CID 144782527) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-[4-(5-methylfuran-2-yl)phenyl]-N,N-dipropylpyridin-3-amine.

Molecular Properties

Compound Name2-[4-(5-methylfuran-2-yl)phenyl]-N,N-dipropylpyridin-3-amine
PubChem CID144782527
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name2-[4-(5-methylfuran-2-yl)phenyl]-N,N-dipropylpyridin-3-amine
SMILESCCCN(CCC)c1cccnc1-c1ccc(-c2ccc(C)o2)cc1
InChIInChI=1S/C22H26N2O/c1-4-15-24(16-5-2)20-7-6-14-23-22(20)19-11-9-18(10-12-19)21-13-8-17(3)25-21/h6-14H,4-5,15-16H2,1-3H3
InChIKeyQYYJKVWCIJTDNH-UHFFFAOYSA-N
XLogP5.94
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methylfuran-2-yl)phenyl]-N,N-dipropylpyridin-3-amine?
The IUPAC name of 2-[4-(5-methylfuran-2-yl)phenyl]-N,N-dipropylpyridin-3-amine (CID 144782527) is 2-[4-(5-methylfuran-2-yl)phenyl]-N,N-dipropylpyridin-3-amine.
What is the SMILES notation for 2-[4-(5-methylfuran-2-yl)phenyl]-N,N-dipropylpyridin-3-amine?
The canonical SMILES for 2-[4-(5-methylfuran-2-yl)phenyl]-N,N-dipropylpyridin-3-amine is CCCN(CCC)c1cccnc1-c1ccc(-c2ccc(C)o2)cc1.
What is the InChIKey of 2-[4-(5-methylfuran-2-yl)phenyl]-N,N-dipropylpyridin-3-amine?
The InChIKey is QYYJKVWCIJTDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-4-15-24(16-5-2)20-7-6-14-23-22(20)19-11-9-18(10-12-19)21-13-8-17(3)25-21/h6-14H,4-5,15-16H2,1-3H3.
What are the key properties of 2-[4-(5-methylfuran-2-yl)phenyl]-N,N-dipropylpyridin-3-amine?
2-[4-(5-methylfuran-2-yl)phenyl]-N,N-dipropylpyridin-3-amine has a molecular weight of 334.46 g/mol, XLogP of 5.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methylfuran-2-yl)phenyl]-N,N-dipropylpyridin-3-amine is sourced from PubChem (CID 144782527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).