2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)-N-(5-piperidin-1-yl-2-pyridinyl)acetamide

C25H25N7O — CID 134313500

IUPAC2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)-N-(5-piperidin-1-yl-2-pyridinyl)acetamide
SMILESO=C(Cc1nnn(-c2ccncc2)c1-c1ccccc1)Nc1ccc(N2CCCCC2)cn1
InChIInChI=1S/C25H25N7O/c33-24(28-23-10-9-21(18-27-23)31-15-5-2-6-16-31)17-22-25(19-7-3-1-4-8-19)32(30-29-22)20-11-13-26-14-12-20/h1,3-4,7-14,18H,2,5-6,15-17H2,(H,27,28,33)
InChIKeyOFIOPJCBMQWXGB-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.90
Rot. Bonds6

About 2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)-N-(5-piperidin-1-yl-2-pyridinyl)acetamide

2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)-N-(5-piperidin-1-yl-2-pyridinyl)acetamide (PubChem CID 134313500) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is 2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)-N-(5-piperidin-1-yl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)-N-(5-piperidin-1-yl-2-pyridinyl)acetamide
PubChem CID134313500
Molecular FormulaC25H25N7O
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC Name2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)-N-(5-piperidin-1-yl-2-pyridinyl)acetamide
SMILESO=C(Cc1nnn(-c2ccncc2)c1-c1ccccc1)Nc1ccc(N2CCCCC2)cn1
InChIInChI=1S/C25H25N7O/c33-24(28-23-10-9-21(18-27-23)31-15-5-2-6-16-31)17-22-25(19-7-3-1-4-8-19)32(30-29-22)20-11-13-26-14-12-20/h1,3-4,7-14,18H,2,5-6,15-17H2,(H,27,28,33)
InChIKeyOFIOPJCBMQWXGB-UHFFFAOYSA-N
XLogP3.90
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide
CID 134313404
2-[5-(4-methylphenyl)-1-pyridin-4-yltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 138742074
N-(6-phenyl-3-pyridinyl)-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide
CID 134313454
2-[1-(2-methyl-4-pyridinyl)-5-phenyltriazol-4-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 134313416
N-[4-(furan-3-yl)phenyl]-2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)acetamide
CID 134313469
N-[5-(azepan-1-yl)-2-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113031077
N-[5-(azepan-1-yl)-2-pyridinyl]propanamide
CID 39072195
N-[5-(azepan-1-yl)-2-pyridinyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 39072303
2-naphthalen-1-yl-N-[2-oxo-2-[(5-piperidin-1-yl-2-pyridinyl)amino]ethyl]acetamide
CID 78878188
2-chloro-N-(5-piperidin-1-yl-2-pyridinyl)benzamide
CID 113024603
N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide
CID 113031088
5-piperidin-1-yl-N-[(2-pyridin-4-ylpyrazol-3-yl)methyl]pyridin-2-amine
CID 146135697

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)-N-(5-piperidin-1-yl-2-pyridinyl)acetamide?
The IUPAC name of 2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)-N-(5-piperidin-1-yl-2-pyridinyl)acetamide (CID 134313500) is 2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)-N-(5-piperidin-1-yl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)-N-(5-piperidin-1-yl-2-pyridinyl)acetamide?
The canonical SMILES for 2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)-N-(5-piperidin-1-yl-2-pyridinyl)acetamide is O=C(Cc1nnn(-c2ccncc2)c1-c1ccccc1)Nc1ccc(N2CCCCC2)cn1.
What is the InChIKey of 2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)-N-(5-piperidin-1-yl-2-pyridinyl)acetamide?
The InChIKey is OFIOPJCBMQWXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O/c33-24(28-23-10-9-21(18-27-23)31-15-5-2-6-16-31)17-22-25(19-7-3-1-4-8-19)32(30-29-22)20-11-13-26-14-12-20/h1,3-4,7-14,18H,2,5-6,15-17H2,(H,27,28,33).
What are the key properties of 2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)-N-(5-piperidin-1-yl-2-pyridinyl)acetamide?
2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)-N-(5-piperidin-1-yl-2-pyridinyl)acetamide has a molecular weight of 439.52 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyl-1-pyridin-4-yltriazol-4-yl)-N-(5-piperidin-1-yl-2-pyridinyl)acetamide is sourced from PubChem (CID 134313500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).