N-[3-[2-[5-methyl-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenyl]acetamide

C22H26N6O2 — CID 134809943

IUPACN-[3-[2-[5-methyl-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccnc(-c3nnc(C)n3CCN3CCOCC3)c2)c1
InChIInChI=1S/C22H26N6O2/c1-16-25-26-22(28(16)9-8-27-10-12-30-13-11-27)21-15-19(6-7-23-21)18-4-3-5-20(14-18)24-17(2)29/h3-7,14-15H,8-13H2,1-2H3,(H,24,29)
InChIKeyAUADLJWSPXSPFX-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.61
Rot. Bonds6

About N-[3-[2-[5-methyl-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenyl]acetamide

N-[3-[2-[5-methyl-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenyl]acetamide (PubChem CID 134809943) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[3-[2-[5-methyl-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[5-methyl-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenyl]acetamide
PubChem CID134809943
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC NameN-[3-[2-[5-methyl-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccnc(-c3nnc(C)n3CCN3CCOCC3)c2)c1
InChIInChI=1S/C22H26N6O2/c1-16-25-26-22(28(16)9-8-27-10-12-30-13-11-27)21-15-19(6-7-23-21)18-4-3-5-20(14-18)24-17(2)29/h3-7,14-15H,8-13H2,1-2H3,(H,24,29)
InChIKeyAUADLJWSPXSPFX-UHFFFAOYSA-N
XLogP2.61
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[5-methyl-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenyl]acetamide?
The IUPAC name of N-[3-[2-[5-methyl-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenyl]acetamide (CID 134809943) is N-[3-[2-[5-methyl-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-[5-methyl-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-[5-methyl-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenyl]acetamide is CC(=O)Nc1cccc(-c2ccnc(-c3nnc(C)n3CCN3CCOCC3)c2)c1.
What is the InChIKey of N-[3-[2-[5-methyl-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenyl]acetamide?
The InChIKey is AUADLJWSPXSPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-16-25-26-22(28(16)9-8-27-10-12-30-13-11-27)21-15-19(6-7-23-21)18-4-3-5-20(14-18)24-17(2)29/h3-7,14-15H,8-13H2,1-2H3,(H,24,29).
What are the key properties of N-[3-[2-[5-methyl-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenyl]acetamide?
N-[3-[2-[5-methyl-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenyl]acetamide has a molecular weight of 406.49 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[5-methyl-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 134809943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).