1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]-5-pyridin-3-yltriazole-4-carboxamide

C24H22ClN5O — CID 51894055

IUPAC1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]-5-pyridin-3-yltriazole-4-carboxamide
SMILESC[C@H](CCc1ccccc1)NC(=O)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1
InChIInChI=1S/C24H22ClN5O/c1-17(9-10-18-6-3-2-4-7-18)27-24(31)22-23(19-8-5-15-26-16-19)30(29-28-22)21-13-11-20(25)12-14-21/h2-8,11-17H,9-10H2,1H3,(H,27,31)/t17-/m1/s1
InChIKeyBRCYNUODFFSTLJ-QGZVFWFLSA-N
MW431.93 g/mol
LogP4.73
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]-5-pyridin-3-yltriazole-4-carboxamide

1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]-5-pyridin-3-yltriazole-4-carboxamide (PubChem CID 51894055) has the molecular formula C24H22ClN5O and a molecular weight of 431.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]-5-pyridin-3-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]-5-pyridin-3-yltriazole-4-carboxamide
PubChem CID51894055
Molecular FormulaC24H22ClN5O
Molecular Weight431.93 g/mol
Exact Mass431.15
IUPAC Name1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]-5-pyridin-3-yltriazole-4-carboxamide
SMILESC[C@H](CCc1ccccc1)NC(=O)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1
InChIInChI=1S/C24H22ClN5O/c1-17(9-10-18-6-3-2-4-7-18)27-24(31)22-23(19-8-5-15-26-16-19)30(29-28-22)21-13-11-20(25)12-14-21/h2-8,11-17H,9-10H2,1H3,(H,27,31)/t17-/m1/s1
InChIKeyBRCYNUODFFSTLJ-QGZVFWFLSA-N
XLogP4.73
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.93
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-N-propan-2-yl-5-pyridin-3-yltriazole-4-carboxamide
CID 53037091
1-(4-chlorophenyl)-N-[(3-methylphenyl)methyl]-5-pyridin-3-yltriazole-4-carboxamide
CID 53332549
N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide
CID 53125141
N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)-5-pyridin-3-yltriazole-4-carboxamide
CID 53332540
1-(4-chlorophenyl)-N-(3-ethoxypropyl)-5-pyridin-3-yltriazole-4-carboxamide
CID 53125132
N-benzyl-1-(4-methylsulfanylphenyl)-5-pyridin-3-yltriazole-4-carboxamide
CID 53125258
1-(4-propan-2-ylphenyl)-5-pyridin-3-yltriazole-4-carboxylic acid
CID 53489601
[1-(4-chlorophenyl)-5-pyridin-3-yltriazol-4-yl]-thiomorpholin-4-ylmethanone
CID 53037097
(2S)-2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 41298487
N-(4-phenylbutan-2-yl)-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 42649451
2-chloro-N-[(2S)-4-phenylbutan-2-yl]-5-(tetrazol-1-yl)benzamide
CID 42569153
N-[2-(4-chlorophenyl)ethyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121101013

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]-5-pyridin-3-yltriazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]-5-pyridin-3-yltriazole-4-carboxamide (CID 51894055) is 1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]-5-pyridin-3-yltriazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]-5-pyridin-3-yltriazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]-5-pyridin-3-yltriazole-4-carboxamide is C[C@H](CCc1ccccc1)NC(=O)c1nnn(-c2ccc(Cl)cc2)c1-c1cccnc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]-5-pyridin-3-yltriazole-4-carboxamide?
The InChIKey is BRCYNUODFFSTLJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H22ClN5O/c1-17(9-10-18-6-3-2-4-7-18)27-24(31)22-23(19-8-5-15-26-16-19)30(29-28-22)21-13-11-20(25)12-14-21/h2-8,11-17H,9-10H2,1H3,(H,27,31)/t17-/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]-5-pyridin-3-yltriazole-4-carboxamide?
1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]-5-pyridin-3-yltriazole-4-carboxamide has a molecular weight of 431.93 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]-5-pyridin-3-yltriazole-4-carboxamide is sourced from PubChem (CID 51894055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).