1-(5-pyridin-3-ylfuran-2-yl)-N,N-bis[(5-pyridin-3-ylfuran-2-yl)methyl]methanamine

C30H24N4O3 — CID 11785088

IUPAC1-(5-pyridin-3-ylfuran-2-yl)-N,N-bis[(5-pyridin-3-ylfuran-2-yl)methyl]methanamine
SMILESc1cncc(-c2ccc(CN(Cc3ccc(-c4cccnc4)o3)Cc3ccc(-c4cccnc4)o3)o2)c1
InChIInChI=1S/C30H24N4O3/c1-4-22(16-31-13-1)28-10-7-25(35-28)19-34(20-26-8-11-29(36-26)23-5-2-14-32-17-23)21-27-9-12-30(37-27)24-6-3-15-33-18-24/h1-18H,19-21H2
InChIKeyORRUGQHSIXFFQF-UHFFFAOYSA-N
MW488.55 g/mol
LogP6.85
Rot. Bonds9

About 1-(5-pyridin-3-ylfuran-2-yl)-N,N-bis[(5-pyridin-3-ylfuran-2-yl)methyl]methanamine

1-(5-pyridin-3-ylfuran-2-yl)-N,N-bis[(5-pyridin-3-ylfuran-2-yl)methyl]methanamine (PubChem CID 11785088) has the molecular formula C30H24N4O3 and a molecular weight of 488.55 g/mol. Its IUPAC name is 1-(5-pyridin-3-ylfuran-2-yl)-N,N-bis[(5-pyridin-3-ylfuran-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-pyridin-3-ylfuran-2-yl)-N,N-bis[(5-pyridin-3-ylfuran-2-yl)methyl]methanamine
PubChem CID11785088
Molecular FormulaC30H24N4O3
Molecular Weight488.55 g/mol
Exact Mass488.18
IUPAC Name1-(5-pyridin-3-ylfuran-2-yl)-N,N-bis[(5-pyridin-3-ylfuran-2-yl)methyl]methanamine
SMILESc1cncc(-c2ccc(CN(Cc3ccc(-c4cccnc4)o3)Cc3ccc(-c4cccnc4)o3)o2)c1
InChIInChI=1S/C30H24N4O3/c1-4-22(16-31-13-1)28-10-7-25(35-28)19-34(20-26-8-11-29(36-26)23-5-2-14-32-17-23)21-27-9-12-30(37-27)24-6-3-15-33-18-24/h1-18H,19-21H2
InChIKeyORRUGQHSIXFFQF-UHFFFAOYSA-N
XLogP6.85
TPSA81.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.55
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(5-pyridin-3-ylfuran-2-yl)-N,N-bis[(5-pyridin-3-ylfuran-2-yl)methyl]methanamine?
The IUPAC name of 1-(5-pyridin-3-ylfuran-2-yl)-N,N-bis[(5-pyridin-3-ylfuran-2-yl)methyl]methanamine (CID 11785088) is 1-(5-pyridin-3-ylfuran-2-yl)-N,N-bis[(5-pyridin-3-ylfuran-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-pyridin-3-ylfuran-2-yl)-N,N-bis[(5-pyridin-3-ylfuran-2-yl)methyl]methanamine?
The canonical SMILES for 1-(5-pyridin-3-ylfuran-2-yl)-N,N-bis[(5-pyridin-3-ylfuran-2-yl)methyl]methanamine is c1cncc(-c2ccc(CN(Cc3ccc(-c4cccnc4)o3)Cc3ccc(-c4cccnc4)o3)o2)c1.
What is the InChIKey of 1-(5-pyridin-3-ylfuran-2-yl)-N,N-bis[(5-pyridin-3-ylfuran-2-yl)methyl]methanamine?
The InChIKey is ORRUGQHSIXFFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O3/c1-4-22(16-31-13-1)28-10-7-25(35-28)19-34(20-26-8-11-29(36-26)23-5-2-14-32-17-23)21-27-9-12-30(37-27)24-6-3-15-33-18-24/h1-18H,19-21H2.
What are the key properties of 1-(5-pyridin-3-ylfuran-2-yl)-N,N-bis[(5-pyridin-3-ylfuran-2-yl)methyl]methanamine?
1-(5-pyridin-3-ylfuran-2-yl)-N,N-bis[(5-pyridin-3-ylfuran-2-yl)methyl]methanamine has a molecular weight of 488.55 g/mol, XLogP of 6.85, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pyridin-3-ylfuran-2-yl)-N,N-bis[(5-pyridin-3-ylfuran-2-yl)methyl]methanamine is sourced from PubChem (CID 11785088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).