N-[4-[2-cyano-4-(furan-3-yl)indol-1-yl]phenyl]pyridine-3-carboxamide

C25H16N4O2 — CID 10111830

IUPACN-[4-[2-cyano-4-(furan-3-yl)indol-1-yl]phenyl]pyridine-3-carboxamide
SMILESN#Cc1cc2c(-c3ccoc3)cccc2n1-c1ccc(NC(=O)c2cccnc2)cc1
InChIInChI=1S/C25H16N4O2/c26-14-21-13-23-22(18-10-12-31-16-18)4-1-5-24(23)29(21)20-8-6-19(7-9-20)28-25(30)17-3-2-11-27-15-17/h1-13,15-16H,(H,28,30)
InChIKeyZDUQRZUTOFVBTQ-UHFFFAOYSA-N
MW404.43 g/mol
LogP5.41
Rot. Bonds4

About N-[4-[2-cyano-4-(furan-3-yl)indol-1-yl]phenyl]pyridine-3-carboxamide

N-[4-[2-cyano-4-(furan-3-yl)indol-1-yl]phenyl]pyridine-3-carboxamide (PubChem CID 10111830) has the molecular formula C25H16N4O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-[4-[2-cyano-4-(furan-3-yl)indol-1-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-cyano-4-(furan-3-yl)indol-1-yl]phenyl]pyridine-3-carboxamide
PubChem CID10111830
Molecular FormulaC25H16N4O2
Molecular Weight404.43 g/mol
Exact Mass404.13
IUPAC NameN-[4-[2-cyano-4-(furan-3-yl)indol-1-yl]phenyl]pyridine-3-carboxamide
SMILESN#Cc1cc2c(-c3ccoc3)cccc2n1-c1ccc(NC(=O)c2cccnc2)cc1
InChIInChI=1S/C25H16N4O2/c26-14-21-13-23-22(18-10-12-31-16-18)4-1-5-24(23)29(21)20-8-6-19(7-9-20)28-25(30)17-3-2-11-27-15-17/h1-13,15-16H,(H,28,30)
InChIKeyZDUQRZUTOFVBTQ-UHFFFAOYSA-N
XLogP5.41
TPSA83.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.43
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-cyano-4-(furan-3-yl)indol-1-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[2-cyano-4-(furan-3-yl)indol-1-yl]phenyl]pyridine-3-carboxamide (CID 10111830) is N-[4-[2-cyano-4-(furan-3-yl)indol-1-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[2-cyano-4-(furan-3-yl)indol-1-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[2-cyano-4-(furan-3-yl)indol-1-yl]phenyl]pyridine-3-carboxamide is N#Cc1cc2c(-c3ccoc3)cccc2n1-c1ccc(NC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[4-[2-cyano-4-(furan-3-yl)indol-1-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is ZDUQRZUTOFVBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N4O2/c26-14-21-13-23-22(18-10-12-31-16-18)4-1-5-24(23)29(21)20-8-6-19(7-9-20)28-25(30)17-3-2-11-27-15-17/h1-13,15-16H,(H,28,30).
What are the key properties of N-[4-[2-cyano-4-(furan-3-yl)indol-1-yl]phenyl]pyridine-3-carboxamide?
N-[4-[2-cyano-4-(furan-3-yl)indol-1-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-cyano-4-(furan-3-yl)indol-1-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 10111830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).