6-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide

C26H23N5O2 — CID 126472234

IUPAC6-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(-c2ccco2)nc1NCc1cccnc1
InChIInChI=1S/C26H23N5O2/c32-26(28-13-11-19-17-29-22-7-2-1-6-20(19)22)21-9-10-23(24-8-4-14-33-24)31-25(21)30-16-18-5-3-12-27-15-18/h1-10,12,14-15,17,29H,11,13,16H2,(H,28,32)(H,30,31)
InChIKeyXAWWISUCKLEVDQ-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.80
Rot. Bonds8

About 6-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide

6-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide (PubChem CID 126472234) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is 6-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
PubChem CID126472234
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC Name6-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccc(-c2ccco2)nc1NCc1cccnc1
InChIInChI=1S/C26H23N5O2/c32-26(28-13-11-19-17-29-22-7-2-1-6-20(19)22)21-9-10-23(24-8-4-14-33-24)31-25(21)30-16-18-5-3-12-27-15-18/h1-10,12,14-15,17,29H,11,13,16H2,(H,28,32)(H,30,31)
InChIKeyXAWWISUCKLEVDQ-UHFFFAOYSA-N
XLogP4.80
TPSA95.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of 6-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide (CID 126472234) is 6-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1ccc(-c2ccco2)nc1NCc1cccnc1.
What is the InChIKey of 6-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is XAWWISUCKLEVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c32-26(28-13-11-19-17-29-22-7-2-1-6-20(19)22)21-9-10-23(24-8-4-14-33-24)31-25(21)30-16-18-5-3-12-27-15-18/h1-10,12,14-15,17,29H,11,13,16H2,(H,28,32)(H,30,31).
What are the key properties of 6-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
6-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 4.80, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 126472234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).