2,2-diphenyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]acetamide

C22H19N5O — CID 121195878

IUPAC2,2-diphenyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]acetamide
SMILESO=C(NCc1cn(-c2ccncc2)nn1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19N5O/c28-22(21(17-7-3-1-4-8-17)18-9-5-2-6-10-18)24-15-19-16-27(26-25-19)20-11-13-23-14-12-20/h1-14,16,21H,15H2,(H,24,28)
InChIKeyWMAQYMVRUUTFEO-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.11
Rot. Bonds6

About 2,2-diphenyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]acetamide

2,2-diphenyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]acetamide (PubChem CID 121195878) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 2,2-diphenyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2-diphenyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]acetamide
PubChem CID121195878
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name2,2-diphenyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]acetamide
SMILESO=C(NCc1cn(-c2ccncc2)nn1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19N5O/c28-22(21(17-7-3-1-4-8-17)18-9-5-2-6-10-18)24-15-19-16-27(26-25-19)20-11-13-23-14-12-20/h1-14,16,21H,15H2,(H,24,28)
InChIKeyWMAQYMVRUUTFEO-UHFFFAOYSA-N
XLogP3.11
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]butanamide
CID 121196031
1-[(1-pyridin-4-yltriazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 119105072
N-[(1-pyridin-4-yltriazol-4-yl)methyl]cyclopentanecarboxamide
CID 121195905
N-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoline-2-carboxamide
CID 121195947
N-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoxaline-2-carboxamide
CID 121195802
4-tert-butyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
CID 121195951
N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazine-2-carboxamide
CID 119105033
1-acetyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]piperidine-4-carboxamide
CID 121195903
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 121196035
4-oxo-N-[(1-pyridin-4-yltriazol-4-yl)methyl]chromene-2-carboxamide
CID 121195822
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 121195973
2,5-dimethyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazole-3-carboxamide
CID 121195982

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]acetamide?
The IUPAC name of 2,2-diphenyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]acetamide (CID 121195878) is 2,2-diphenyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2,2-diphenyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]acetamide?
The canonical SMILES for 2,2-diphenyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]acetamide is O=C(NCc1cn(-c2ccncc2)nn1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]acetamide?
The InChIKey is WMAQYMVRUUTFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c28-22(21(17-7-3-1-4-8-17)18-9-5-2-6-10-18)24-15-19-16-27(26-25-19)20-11-13-23-14-12-20/h1-14,16,21H,15H2,(H,24,28).
What are the key properties of 2,2-diphenyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]acetamide?
2,2-diphenyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]acetamide has a molecular weight of 369.43 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]acetamide is sourced from PubChem (CID 121195878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).