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

C23H21N5O — CID 134808539

IUPACN-[3-[2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccnc(-c3nnc(C)n3Cc3ccccc3)c2)c1
InChIInChI=1S/C23H21N5O/c1-16-26-27-23(28(16)15-18-7-4-3-5-8-18)22-14-20(11-12-24-22)19-9-6-10-21(13-19)25-17(2)29/h3-14H,15H2,1-2H3,(H,25,29)
InChIKeyQZRDHYGMUQOHAX-UHFFFAOYSA-N
MW383.46 g/mol
LogP4.32
Rot. Bonds5

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

N-[3-[2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]phenyl]acetamide (PubChem CID 134808539) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is N-[3-[2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]phenyl]acetamide
PubChem CID134808539
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC NameN-[3-[2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccnc(-c3nnc(C)n3Cc3ccccc3)c2)c1
InChIInChI=1S/C23H21N5O/c1-16-26-27-23(28(16)15-18-7-4-3-5-8-18)22-14-20(11-12-24-22)19-9-6-10-21(13-19)25-17(2)29/h3-14H,15H2,1-2H3,(H,25,29)
InChIKeyQZRDHYGMUQOHAX-UHFFFAOYSA-N
XLogP4.32
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]phenyl]acetamide?
The IUPAC name of N-[3-[2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]phenyl]acetamide (CID 134808539) is N-[3-[2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]phenyl]acetamide is CC(=O)Nc1cccc(-c2ccnc(-c3nnc(C)n3Cc3ccccc3)c2)c1.
What is the InChIKey of N-[3-[2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]phenyl]acetamide?
The InChIKey is QZRDHYGMUQOHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O/c1-16-26-27-23(28(16)15-18-7-4-3-5-8-18)22-14-20(11-12-24-22)19-9-6-10-21(13-19)25-17(2)29/h3-14H,15H2,1-2H3,(H,25,29).
What are the key properties of N-[3-[2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]phenyl]acetamide?
N-[3-[2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]phenyl]acetamide has a molecular weight of 383.46 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 134808539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).