N-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]acetamide

C24H22N8O — CID 54771764

IUPACN-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCc2nc(-c3ccc4ncnn4c3)c(-c3cccc(C)n3)[nH]2)c1
InChIInChI=1S/C24H22N8O/c1-15-5-3-8-20(28-15)24-23(17-9-10-22-26-14-27-32(22)13-17)30-21(31-24)12-25-18-6-4-7-19(11-18)29-16(2)33/h3-11,13-14,25H,12H2,1-2H3,(H,29,33)(H,30,31)
InChIKeyZJHDMVLYQMZNEC-UHFFFAOYSA-N
MW438.50 g/mol
LogP4.06
Rot. Bonds6

About N-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]acetamide

N-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]acetamide (PubChem CID 54771764) has the molecular formula C24H22N8O and a molecular weight of 438.50 g/mol. Its IUPAC name is N-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]acetamide
PubChem CID54771764
Molecular FormulaC24H22N8O
Molecular Weight438.50 g/mol
Exact Mass438.19
IUPAC NameN-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NCc2nc(-c3ccc4ncnn4c3)c(-c3cccc(C)n3)[nH]2)c1
InChIInChI=1S/C24H22N8O/c1-15-5-3-8-20(28-15)24-23(17-9-10-22-26-14-27-32(22)13-17)30-21(31-24)12-25-18-6-4-7-19(11-18)29-16(2)33/h3-11,13-14,25H,12H2,1-2H3,(H,29,33)(H,30,31)
InChIKeyZJHDMVLYQMZNEC-UHFFFAOYSA-N
XLogP4.06
TPSA112.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]acetamide?
The IUPAC name of N-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]acetamide (CID 54771764) is N-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]acetamide is CC(=O)Nc1cccc(NCc2nc(-c3ccc4ncnn4c3)c(-c3cccc(C)n3)[nH]2)c1.
What is the InChIKey of N-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]acetamide?
The InChIKey is ZJHDMVLYQMZNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N8O/c1-15-5-3-8-20(28-15)24-23(17-9-10-22-26-14-27-32(22)13-17)30-21(31-24)12-25-18-6-4-7-19(11-18)29-16(2)33/h3-11,13-14,25H,12H2,1-2H3,(H,29,33)(H,30,31).
What are the key properties of N-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]acetamide?
N-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]acetamide has a molecular weight of 438.50 g/mol, XLogP of 4.06, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]phenyl]acetamide is sourced from PubChem (CID 54771764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).