5-[7-(4-tert-butylphenyl)furo[3,2-c]pyridin-2-yl]pyridin-3-amine

C22H21N3O — CID 118090028

IUPAC5-[7-(4-tert-butylphenyl)furo[3,2-c]pyridin-2-yl]pyridin-3-amine
SMILESCC(C)(C)c1ccc(-c2cncc3cc(-c4cncc(N)c4)oc23)cc1
InChIInChI=1S/C22H21N3O/c1-22(2,3)17-6-4-14(5-7-17)19-13-25-11-16-9-20(26-21(16)19)15-8-18(23)12-24-10-15/h4-13H,23H2,1-3H3
InChIKeyLIRQJLUHFDARJS-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.44
Rot. Bonds2

About 5-[7-(4-tert-butylphenyl)furo[3,2-c]pyridin-2-yl]pyridin-3-amine

5-[7-(4-tert-butylphenyl)furo[3,2-c]pyridin-2-yl]pyridin-3-amine (PubChem CID 118090028) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 5-[7-(4-tert-butylphenyl)furo[3,2-c]pyridin-2-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-[7-(4-tert-butylphenyl)furo[3,2-c]pyridin-2-yl]pyridin-3-amine
PubChem CID118090028
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name5-[7-(4-tert-butylphenyl)furo[3,2-c]pyridin-2-yl]pyridin-3-amine
SMILESCC(C)(C)c1ccc(-c2cncc3cc(-c4cncc(N)c4)oc23)cc1
InChIInChI=1S/C22H21N3O/c1-22(2,3)17-6-4-14(5-7-17)19-13-25-11-16-9-20(26-21(16)19)15-8-18(23)12-24-10-15/h4-13H,23H2,1-3H3
InChIKeyLIRQJLUHFDARJS-UHFFFAOYSA-N
XLogP5.44
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[7-(4-tert-butylphenyl)furo[3,2-c]pyridin-2-yl]pyridin-3-amine?
The IUPAC name of 5-[7-(4-tert-butylphenyl)furo[3,2-c]pyridin-2-yl]pyridin-3-amine (CID 118090028) is 5-[7-(4-tert-butylphenyl)furo[3,2-c]pyridin-2-yl]pyridin-3-amine.
What is the SMILES notation for 5-[7-(4-tert-butylphenyl)furo[3,2-c]pyridin-2-yl]pyridin-3-amine?
The canonical SMILES for 5-[7-(4-tert-butylphenyl)furo[3,2-c]pyridin-2-yl]pyridin-3-amine is CC(C)(C)c1ccc(-c2cncc3cc(-c4cncc(N)c4)oc23)cc1.
What is the InChIKey of 5-[7-(4-tert-butylphenyl)furo[3,2-c]pyridin-2-yl]pyridin-3-amine?
The InChIKey is LIRQJLUHFDARJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-22(2,3)17-6-4-14(5-7-17)19-13-25-11-16-9-20(26-21(16)19)15-8-18(23)12-24-10-15/h4-13H,23H2,1-3H3.
What are the key properties of 5-[7-(4-tert-butylphenyl)furo[3,2-c]pyridin-2-yl]pyridin-3-amine?
5-[7-(4-tert-butylphenyl)furo[3,2-c]pyridin-2-yl]pyridin-3-amine has a molecular weight of 343.43 g/mol, XLogP of 5.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(4-tert-butylphenyl)furo[3,2-c]pyridin-2-yl]pyridin-3-amine is sourced from PubChem (CID 118090028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).