N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide

C21H15ClFN5O — CID 53125141

IUPACN-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1nnn(-c2ccc(F)cc2)c1-c1cccnc1
InChIInChI=1S/C21H15ClFN5O/c22-16-5-3-14(4-6-16)12-25-21(29)19-20(15-2-1-11-24-13-15)28(27-26-19)18-9-7-17(23)8-10-18/h1-11,13H,12H2,(H,25,29)
InChIKeyLDRFMCZEKGMTBB-UHFFFAOYSA-N
MW407.84 g/mol
LogP4.05
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide

N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide (PubChem CID 53125141) has the molecular formula C21H15ClFN5O and a molecular weight of 407.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide
PubChem CID53125141
Molecular FormulaC21H15ClFN5O
Molecular Weight407.84 g/mol
Exact Mass407.09
IUPAC NameN-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1nnn(-c2ccc(F)cc2)c1-c1cccnc1
InChIInChI=1S/C21H15ClFN5O/c22-16-5-3-14(4-6-16)12-25-21(29)19-20(15-2-1-11-24-13-15)28(27-26-19)18-9-7-17(23)8-10-18/h1-11,13H,12H2,(H,25,29)
InChIKeyLDRFMCZEKGMTBB-UHFFFAOYSA-N
XLogP4.05
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.84
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-5-pyridin-3-yltriazole-4-carboxamide
CID 53125231
1-(4-chlorophenyl)-N-[(3-methylphenyl)methyl]-5-pyridin-3-yltriazole-4-carboxamide
CID 53332549
N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)-5-pyridin-3-yltriazole-4-carboxamide
CID 53332540
N-benzyl-1-(4-methylsulfanylphenyl)-5-pyridin-3-yltriazole-4-carboxamide
CID 53125258
1-(4-chlorophenyl)-N-propan-2-yl-5-pyridin-3-yltriazole-4-carboxamide
CID 53037091
N-(2,4-difluorophenyl)-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide
CID 53125169
1-(4-chlorophenyl)-N-(3-ethoxypropyl)-5-pyridin-3-yltriazole-4-carboxamide
CID 53125132
1-(2-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-5-pyridin-3-yltriazole-4-carboxamide
CID 53332449
1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]-5-pyridin-3-yltriazole-4-carboxamide
CID 51894055
N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide
CID 53125173
N-[(4-ethoxyphenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide
CID 122172046
N-[(4-chlorophenyl)methyl]-5-pyridin-3-ylimidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 134800377

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide (CID 53125141) is N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide is O=C(NCc1ccc(Cl)cc1)c1nnn(-c2ccc(F)cc2)c1-c1cccnc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide?
The InChIKey is LDRFMCZEKGMTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN5O/c22-16-5-3-14(4-6-16)12-25-21(29)19-20(15-2-1-11-24-13-15)28(27-26-19)18-9-7-17(23)8-10-18/h1-11,13H,12H2,(H,25,29).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide?
N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide has a molecular weight of 407.84 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide is sourced from PubChem (CID 53125141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).