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

C24H18N6O2 — CID 134144011

IUPACN-[5-(furan-2-yl)-2-pyridinyl]-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccncc2)c1-c1ccccc1)Nc1ccc(-c2ccco2)cn1
InChIInChI=1S/C24H18N6O2/c31-22(27-21-9-8-19(15-26-21)20-7-4-14-32-20)16-30-24(18-5-2-1-3-6-18)23(28-29-30)17-10-12-25-13-11-17/h1-15H,16H2,(H,26,27,31)
InChIKeyJNCNARGJGZOOEE-UHFFFAOYSA-N
MW422.45 g/mol
LogP4.30
Rot. Bonds6

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

N-[5-(furan-2-yl)-2-pyridinyl]-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide (PubChem CID 134144011) has the molecular formula C24H18N6O2 and a molecular weight of 422.45 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-2-pyridinyl]-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-2-pyridinyl]-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide
PubChem CID134144011
Molecular FormulaC24H18N6O2
Molecular Weight422.45 g/mol
Exact Mass422.15
IUPAC NameN-[5-(furan-2-yl)-2-pyridinyl]-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide
SMILESO=C(Cn1nnc(-c2ccncc2)c1-c1ccccc1)Nc1ccc(-c2ccco2)cn1
InChIInChI=1S/C24H18N6O2/c31-22(27-21-9-8-19(15-26-21)20-7-4-14-32-20)16-30-24(18-5-2-1-3-6-18)23(28-29-30)17-10-12-25-13-11-17/h1-15H,16H2,(H,26,27,31)
InChIKeyJNCNARGJGZOOEE-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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Related Compounds

N-[5-(furan-3-yl)-2-pyridinyl]-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide
CID 134143817
[3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-phenyl]-morpholin-4-yl-methanone
CID 11361290
4-Fluoro-N-[6-(2-furyl)-5-pyridin-4-ylpyrazin-2-yl]benzamide
CID 16070216
N-[6-(5-methyl-2-furyl)-5-pyridin-4-ylpyrazin-2-yl]cyclopropanecarboxamide
CID 16071777
N-[6-(2-Furanyl)-5-(4-pyridinyl)-2-pyrazinyl]acetamide
CID 16072019
n-[6-(2-Furyl)-5-pyridin-4-ylpyrazin-2-yl]propanamide
CID 16072020
n-[6-(2-Furyl)-5-pyridin-4-ylpyrazin-2-yl]cyclopropanecarboxamide
CID 16072021
n-[6-(2-Furyl)-5-pyridin-4-ylpyrazin-2-yl]cyclobutanecarboxamide
CID 16072022
n-[6-(2-Furyl)-5-pyridin-4-ylpyrazin-2-yl]-2-methylpropanamide
CID 16072023
2-Cyclopentyl-n-[6-(2-furyl)-5-pyridin-4-ylpyrazin-2-yl]acetamide
CID 16072024
[3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-phenyl]-(4-benzyl-piperazin-1-yl)-methanone
CID 44403139
[4-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-phenyl]-morpholin-4-yl-methanone
CID 44403145

Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-2-pyridinyl]-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide?
The IUPAC name of N-[5-(furan-2-yl)-2-pyridinyl]-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide (CID 134144011) is N-[5-(furan-2-yl)-2-pyridinyl]-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide.
What is the SMILES notation for N-[5-(furan-2-yl)-2-pyridinyl]-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide?
The canonical SMILES for N-[5-(furan-2-yl)-2-pyridinyl]-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide is O=C(Cn1nnc(-c2ccncc2)c1-c1ccccc1)Nc1ccc(-c2ccco2)cn1.
What is the InChIKey of N-[5-(furan-2-yl)-2-pyridinyl]-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide?
The InChIKey is JNCNARGJGZOOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O2/c31-22(27-21-9-8-19(15-26-21)20-7-4-14-32-20)16-30-24(18-5-2-1-3-6-18)23(28-29-30)17-10-12-25-13-11-17/h1-15H,16H2,(H,26,27,31).
What are the key properties of N-[5-(furan-2-yl)-2-pyridinyl]-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide?
N-[5-(furan-2-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-2-yl)-2-pyridinyl]-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide is sourced from PubChem (CID 134144011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).