N-[(1-pyridin-4-yltriazol-4-yl)methyl]-4-thiophen-3-ylbenzamide

C19H15N5OS — CID 121195848

IUPACN-[(1-pyridin-4-yltriazol-4-yl)methyl]-4-thiophen-3-ylbenzamide
SMILESO=C(NCc1cn(-c2ccncc2)nn1)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C19H15N5OS/c25-19(15-3-1-14(2-4-15)16-7-10-26-13-16)21-11-17-12-24(23-22-17)18-5-8-20-9-6-18/h1-10,12-13H,11H2,(H,21,25)
InChIKeyDFJMYBJGOVVZNL-UHFFFAOYSA-N
MW361.43 g/mol
LogP3.32
Rot. Bonds5

About N-[(1-pyridin-4-yltriazol-4-yl)methyl]-4-thiophen-3-ylbenzamide

N-[(1-pyridin-4-yltriazol-4-yl)methyl]-4-thiophen-3-ylbenzamide (PubChem CID 121195848) has the molecular formula C19H15N5OS and a molecular weight of 361.43 g/mol. Its IUPAC name is N-[(1-pyridin-4-yltriazol-4-yl)methyl]-4-thiophen-3-ylbenzamide.

Molecular Properties

Compound NameN-[(1-pyridin-4-yltriazol-4-yl)methyl]-4-thiophen-3-ylbenzamide
PubChem CID121195848
Molecular FormulaC19H15N5OS
Molecular Weight361.43 g/mol
Exact Mass361.10
IUPAC NameN-[(1-pyridin-4-yltriazol-4-yl)methyl]-4-thiophen-3-ylbenzamide
SMILESO=C(NCc1cn(-c2ccncc2)nn1)c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C19H15N5OS/c25-19(15-3-1-14(2-4-15)16-7-10-26-13-16)21-11-17-12-24(23-22-17)18-5-8-20-9-6-18/h1-10,12-13H,11H2,(H,21,25)
InChIKeyDFJMYBJGOVVZNL-UHFFFAOYSA-N
XLogP3.32
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-tert-butyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
CID 121195951
4-(dimethylamino)-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
CID 121195791
3-fluoro-4-methyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
CID 121195968
N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazine-2-carboxamide
CID 119105033
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 121196018
2,5-dimethyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]pyrazole-3-carboxamide
CID 121195982
3-pyrazol-1-yl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]benzamide
CID 121195995
N-[(1-thiophen-3-yltriazol-4-yl)methyl]thiophene-2-carboxamide
CID 122162192
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 121195973
3-fluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide
CID 122275801
N-[(1-pyridin-4-yltriazol-4-yl)methyl]quinoxaline-2-carboxamide
CID 121195802
2,2-diphenyl-N-[(1-pyridin-4-yltriazol-4-yl)methyl]acetamide
CID 121195878

Frequently Asked Questions

What is the IUPAC name of N-[(1-pyridin-4-yltriazol-4-yl)methyl]-4-thiophen-3-ylbenzamide?
The IUPAC name of N-[(1-pyridin-4-yltriazol-4-yl)methyl]-4-thiophen-3-ylbenzamide (CID 121195848) is N-[(1-pyridin-4-yltriazol-4-yl)methyl]-4-thiophen-3-ylbenzamide.
What is the SMILES notation for N-[(1-pyridin-4-yltriazol-4-yl)methyl]-4-thiophen-3-ylbenzamide?
The canonical SMILES for N-[(1-pyridin-4-yltriazol-4-yl)methyl]-4-thiophen-3-ylbenzamide is O=C(NCc1cn(-c2ccncc2)nn1)c1ccc(-c2ccsc2)cc1.
What is the InChIKey of N-[(1-pyridin-4-yltriazol-4-yl)methyl]-4-thiophen-3-ylbenzamide?
The InChIKey is DFJMYBJGOVVZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5OS/c25-19(15-3-1-14(2-4-15)16-7-10-26-13-16)21-11-17-12-24(23-22-17)18-5-8-20-9-6-18/h1-10,12-13H,11H2,(H,21,25).
What are the key properties of N-[(1-pyridin-4-yltriazol-4-yl)methyl]-4-thiophen-3-ylbenzamide?
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-4-thiophen-3-ylbenzamide has a molecular weight of 361.43 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyridin-4-yltriazol-4-yl)methyl]-4-thiophen-3-ylbenzamide is sourced from PubChem (CID 121195848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).