N-[5-(furan-3-yl)-2-pyridinyl]-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide

C24H18N6O2 — CID 134143817

IUPACN-[5-(furan-3-yl)-2-pyridinyl]-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccncc2)c1-c1ccccc1)Nc1ccc(-c2ccoc2)cn1
InChIInChI=1S/C24H18N6O2/c31-22(27-21-7-6-19(14-26-21)20-10-13-32-16-20)15-30-24(18-4-2-1-3-5-18)23(28-29-30)17-8-11-25-12-9-17/h1-14,16H,15H2,(H,26,27,31)
InChIKeyFSTWBIHIDHYFEW-UHFFFAOYSA-N
MW422.45 g/mol
LogP4.30
Rot. Bonds6

About N-[5-(furan-3-yl)-2-pyridinyl]-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide

N-[5-(furan-3-yl)-2-pyridinyl]-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide (PubChem CID 134143817) has the molecular formula C24H18N6O2 and a molecular weight of 422.45 g/mol. Its IUPAC name is N-[5-(furan-3-yl)-2-pyridinyl]-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-(furan-3-yl)-2-pyridinyl]-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide
PubChem CID134143817
Molecular FormulaC24H18N6O2
Molecular Weight422.45 g/mol
Exact Mass422.15
IUPAC NameN-[5-(furan-3-yl)-2-pyridinyl]-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccncc2)c1-c1ccccc1)Nc1ccc(-c2ccoc2)cn1
InChIInChI=1S/C24H18N6O2/c31-22(27-21-7-6-19(14-26-21)20-10-13-32-16-20)15-30-24(18-4-2-1-3-5-18)23(28-29-30)17-8-11-25-12-9-17/h1-14,16H,15H2,(H,26,27,31)
InChIKeyFSTWBIHIDHYFEW-UHFFFAOYSA-N
XLogP4.30
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-3-yl)-2-pyridinyl]-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide?
The IUPAC name of N-[5-(furan-3-yl)-2-pyridinyl]-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide (CID 134143817) is N-[5-(furan-3-yl)-2-pyridinyl]-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide.
What is the SMILES notation for N-[5-(furan-3-yl)-2-pyridinyl]-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide?
The canonical SMILES for N-[5-(furan-3-yl)-2-pyridinyl]-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide is O=C(Cn1nnc(-c2ccncc2)c1-c1ccccc1)Nc1ccc(-c2ccoc2)cn1.
What is the InChIKey of N-[5-(furan-3-yl)-2-pyridinyl]-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide?
The InChIKey is FSTWBIHIDHYFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O2/c31-22(27-21-7-6-19(14-26-21)20-10-13-32-16-20)15-30-24(18-4-2-1-3-5-18)23(28-29-30)17-8-11-25-12-9-17/h1-14,16H,15H2,(H,26,27,31).
What are the key properties of N-[5-(furan-3-yl)-2-pyridinyl]-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide?
N-[5-(furan-3-yl)-2-pyridinyl]-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide has a molecular weight of 422.45 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-3-yl)-2-pyridinyl]-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide is sourced from PubChem (CID 134143817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).