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

C22H19N5O — CID 134807917

IUPACN-[3-[2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-4-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccnc(-c3nnc(C)n3-c3ccccc3)c2)c1
InChIInChI=1S/C22H19N5O/c1-15-25-26-22(27(15)20-9-4-3-5-10-20)21-14-18(11-12-23-21)17-7-6-8-19(13-17)24-16(2)28/h3-14H,1-2H3,(H,24,28)
InChIKeyUMFADJXDZFPVCB-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.26
Rot. Bonds4

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

N-[3-[2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-4-pyridinyl]phenyl]acetamide (PubChem CID 134807917) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is N-[3-[2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-4-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-4-pyridinyl]phenyl]acetamide
PubChem CID134807917
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC NameN-[3-[2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-4-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccnc(-c3nnc(C)n3-c3ccccc3)c2)c1
InChIInChI=1S/C22H19N5O/c1-15-25-26-22(27(15)20-9-4-3-5-10-20)21-14-18(11-12-23-21)17-7-6-8-19(13-17)24-16(2)28/h3-14H,1-2H3,(H,24,28)
InChIKeyUMFADJXDZFPVCB-UHFFFAOYSA-N
XLogP4.26
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-4-pyridinyl]phenyl]acetamide?
The IUPAC name of N-[3-[2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-4-pyridinyl]phenyl]acetamide (CID 134807917) is N-[3-[2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-4-pyridinyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-4-pyridinyl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-4-pyridinyl]phenyl]acetamide is CC(=O)Nc1cccc(-c2ccnc(-c3nnc(C)n3-c3ccccc3)c2)c1.
What is the InChIKey of N-[3-[2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-4-pyridinyl]phenyl]acetamide?
The InChIKey is UMFADJXDZFPVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-15-25-26-22(27(15)20-9-4-3-5-10-20)21-14-18(11-12-23-21)17-7-6-8-19(13-17)24-16(2)28/h3-14H,1-2H3,(H,24,28).
What are the key properties of N-[3-[2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-4-pyridinyl]phenyl]acetamide?
N-[3-[2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-4-pyridinyl]phenyl]acetamide has a molecular weight of 369.43 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-4-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 134807917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).