4-(4-fluorophenyl)-N-methyl-N-phenyl-5-pyridin-4-yltriazole-1-carboxamide

C21H16FN5O — CID 10133916

IUPAC4-(4-fluorophenyl)-N-methyl-N-phenyl-5-pyridin-4-yltriazole-1-carboxamide
SMILESCN(C(=O)n1nnc(-c2ccc(F)cc2)c1-c1ccncc1)c1ccccc1
InChIInChI=1S/C21H16FN5O/c1-26(18-5-3-2-4-6-18)21(28)27-20(16-11-13-23-14-12-16)19(24-25-27)15-7-9-17(22)10-8-15/h2-14H,1H3
InChIKeyQYYHPVXOAJOINA-UHFFFAOYSA-N
MW373.39 g/mol
LogP4.25
Rot. Bonds3

About 4-(4-fluorophenyl)-N-methyl-N-phenyl-5-pyridin-4-yltriazole-1-carboxamide

4-(4-fluorophenyl)-N-methyl-N-phenyl-5-pyridin-4-yltriazole-1-carboxamide (PubChem CID 10133916) has the molecular formula C21H16FN5O and a molecular weight of 373.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-methyl-N-phenyl-5-pyridin-4-yltriazole-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-methyl-N-phenyl-5-pyridin-4-yltriazole-1-carboxamide
PubChem CID10133916
Molecular FormulaC21H16FN5O
Molecular Weight373.39 g/mol
Exact Mass373.13
IUPAC Name4-(4-fluorophenyl)-N-methyl-N-phenyl-5-pyridin-4-yltriazole-1-carboxamide
SMILESCN(C(=O)n1nnc(-c2ccc(F)cc2)c1-c1ccncc1)c1ccccc1
InChIInChI=1S/C21H16FN5O/c1-26(18-5-3-2-4-6-18)21(28)27-20(16-11-13-23-14-12-16)19(24-25-27)15-7-9-17(22)10-8-15/h2-14H,1H3
InChIKeyQYYHPVXOAJOINA-UHFFFAOYSA-N
XLogP4.25
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-methyl-N-phenyl-5-pyridin-4-yltriazole-1-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-methyl-N-phenyl-5-pyridin-4-yltriazole-1-carboxamide (CID 10133916) is 4-(4-fluorophenyl)-N-methyl-N-phenyl-5-pyridin-4-yltriazole-1-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-methyl-N-phenyl-5-pyridin-4-yltriazole-1-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-methyl-N-phenyl-5-pyridin-4-yltriazole-1-carboxamide is CN(C(=O)n1nnc(-c2ccc(F)cc2)c1-c1ccncc1)c1ccccc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-methyl-N-phenyl-5-pyridin-4-yltriazole-1-carboxamide?
The InChIKey is QYYHPVXOAJOINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O/c1-26(18-5-3-2-4-6-18)21(28)27-20(16-11-13-23-14-12-16)19(24-25-27)15-7-9-17(22)10-8-15/h2-14H,1H3.
What are the key properties of 4-(4-fluorophenyl)-N-methyl-N-phenyl-5-pyridin-4-yltriazole-1-carboxamide?
4-(4-fluorophenyl)-N-methyl-N-phenyl-5-pyridin-4-yltriazole-1-carboxamide has a molecular weight of 373.39 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-methyl-N-phenyl-5-pyridin-4-yltriazole-1-carboxamide is sourced from PubChem (CID 10133916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).