6-[[6-[3-[2-(4-cyanophenoxy)propanoylamino]-1H-1,2,4-triazol-5-yl]-2-pyridinyl]methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carboxamide

C31H24N12O3 — CID 129301406

IUPAC6-[[6-[3-[2-(4-cyanophenoxy)propanoylamino]-1H-1,2,4-triazol-5-yl]-2-pyridinyl]methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carboxamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)Nc1n[nH]c(-c2cccc(Cc3cccc(C(=O)Nc4n[nH]c(-c5ccccn5)n4)n3)n2)n1
InChIInChI=1S/C31H24N12O3/c1-18(46-22-13-11-19(17-32)12-14-22)28(44)38-30-37-27(41-42-30)24-9-4-6-20(34-24)16-21-7-5-10-25(35-21)29(45)39-31-36-26(40-43-31)23-8-2-3-15-33-23/h2-15,18H,16H2,1H3,(H2,36,39,40,43,45)(H2,37,38,41,42,44)
InChIKeyDJDVBJVTWDULJL-UHFFFAOYSA-N
MW612.61 g/mol
LogP3.56
Rot. Bonds10

About 6-[[6-[3-[2-(4-cyanophenoxy)propanoylamino]-1H-1,2,4-triazol-5-yl]-2-pyridinyl]methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carboxamide

6-[[6-[3-[2-(4-cyanophenoxy)propanoylamino]-1H-1,2,4-triazol-5-yl]-2-pyridinyl]methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carboxamide (PubChem CID 129301406) has the molecular formula C31H24N12O3 and a molecular weight of 612.61 g/mol. Its IUPAC name is 6-[[6-[3-[2-(4-cyanophenoxy)propanoylamino]-1H-1,2,4-triazol-5-yl]-2-pyridinyl]methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[6-[3-[2-(4-cyanophenoxy)propanoylamino]-1H-1,2,4-triazol-5-yl]-2-pyridinyl]methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carboxamide
PubChem CID129301406
Molecular FormulaC31H24N12O3
Molecular Weight612.61 g/mol
Exact Mass612.21
IUPAC Name6-[[6-[3-[2-(4-cyanophenoxy)propanoylamino]-1H-1,2,4-triazol-5-yl]-2-pyridinyl]methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carboxamide
SMILESCC(Oc1ccc(C#N)cc1)C(=O)Nc1n[nH]c(-c2cccc(Cc3cccc(C(=O)Nc4n[nH]c(-c5ccccn5)n4)n3)n2)n1
InChIInChI=1S/C31H24N12O3/c1-18(46-22-13-11-19(17-32)12-14-22)28(44)38-30-37-27(41-42-30)24-9-4-6-20(34-24)16-21-7-5-10-25(35-21)29(45)39-31-36-26(40-43-31)23-8-2-3-15-33-23/h2-15,18H,16H2,1H3,(H2,36,39,40,43,45)(H2,37,38,41,42,44)
InChIKeyDJDVBJVTWDULJL-UHFFFAOYSA-N
XLogP3.56
TPSA213.03 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.61
LogP ≤ 53.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 6-[[6-[3-[2-(4-cyanophenoxy)propanoylamino]-1H-1,2,4-triazol-5-yl]-2-pyridinyl]methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[6-[3-[2-(4-cyanophenoxy)propanoylamino]-1H-1,2,4-triazol-5-yl]-2-pyridinyl]methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carboxamide?
The IUPAC name of 6-[[6-[3-[2-(4-cyanophenoxy)propanoylamino]-1H-1,2,4-triazol-5-yl]-2-pyridinyl]methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carboxamide (CID 129301406) is 6-[[6-[3-[2-(4-cyanophenoxy)propanoylamino]-1H-1,2,4-triazol-5-yl]-2-pyridinyl]methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[[6-[3-[2-(4-cyanophenoxy)propanoylamino]-1H-1,2,4-triazol-5-yl]-2-pyridinyl]methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-[[6-[3-[2-(4-cyanophenoxy)propanoylamino]-1H-1,2,4-triazol-5-yl]-2-pyridinyl]methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carboxamide is CC(Oc1ccc(C#N)cc1)C(=O)Nc1n[nH]c(-c2cccc(Cc3cccc(C(=O)Nc4n[nH]c(-c5ccccn5)n4)n3)n2)n1.
What is the InChIKey of 6-[[6-[3-[2-(4-cyanophenoxy)propanoylamino]-1H-1,2,4-triazol-5-yl]-2-pyridinyl]methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carboxamide?
The InChIKey is DJDVBJVTWDULJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N12O3/c1-18(46-22-13-11-19(17-32)12-14-22)28(44)38-30-37-27(41-42-30)24-9-4-6-20(34-24)16-21-7-5-10-25(35-21)29(45)39-31-36-26(40-43-31)23-8-2-3-15-33-23/h2-15,18H,16H2,1H3,(H2,36,39,40,43,45)(H2,37,38,41,42,44).
What are the key properties of 6-[[6-[3-[2-(4-cyanophenoxy)propanoylamino]-1H-1,2,4-triazol-5-yl]-2-pyridinyl]methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carboxamide?
6-[[6-[3-[2-(4-cyanophenoxy)propanoylamino]-1H-1,2,4-triazol-5-yl]-2-pyridinyl]methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carboxamide has a molecular weight of 612.61 g/mol, XLogP of 3.56, 10 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-[3-[2-(4-cyanophenoxy)propanoylamino]-1H-1,2,4-triazol-5-yl]-2-pyridinyl]methyl]-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 129301406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).