N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]furan-2-carboxamide

C21H16N4O2 — CID 10066845

IUPACN-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]furan-2-carboxamide
SMILESO=C(Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1)c1ccco1
InChIInChI=1S/C21H16N4O2/c26-21(18-7-4-12-27-18)25-20-14-16(9-11-23-20)15-8-10-22-19(13-15)24-17-5-2-1-3-6-17/h1-14H,(H,22,24)(H,23,25,26)
InChIKeyRMQLRJIXYUSAHW-UHFFFAOYSA-N
MW356.39 g/mol
LogP4.73
Rot. Bonds5

About N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]furan-2-carboxamide

N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]furan-2-carboxamide (PubChem CID 10066845) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]furan-2-carboxamide
PubChem CID10066845
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC NameN-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]furan-2-carboxamide
SMILESO=C(Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1)c1ccco1
InChIInChI=1S/C21H16N4O2/c26-21(18-7-4-12-27-18)25-20-14-16(9-11-23-20)15-8-10-22-19(13-15)24-17-5-2-1-3-6-17/h1-14H,(H,22,24)(H,23,25,26)
InChIKeyRMQLRJIXYUSAHW-UHFFFAOYSA-N
XLogP4.73
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]furan-2-carboxamide?
The IUPAC name of N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]furan-2-carboxamide (CID 10066845) is N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]furan-2-carboxamide?
The canonical SMILES for N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]furan-2-carboxamide is O=C(Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1)c1ccco1.
What is the InChIKey of N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]furan-2-carboxamide?
The InChIKey is RMQLRJIXYUSAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c26-21(18-7-4-12-27-18)25-20-14-16(9-11-23-20)15-8-10-22-19(13-15)24-17-5-2-1-3-6-17/h1-14H,(H,22,24)(H,23,25,26).
What are the key properties of N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]furan-2-carboxamide?
N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]furan-2-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 10066845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).