2-phenyl-N-[2-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]ethyl]benzamide

C29H25N5O — CID 86305276

IUPAC2-phenyl-N-[2-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]ethyl]benzamide
SMILESO=C(NCCc1ccc(Cn2cc(-c3cccnc3)nn2)cc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C29H25N5O/c35-29(27-11-5-4-10-26(27)24-7-2-1-3-8-24)31-18-16-22-12-14-23(15-13-22)20-34-21-28(32-33-34)25-9-6-17-30-19-25/h1-15,17,19,21H,16,18,20H2,(H,31,35)
InChIKeyUJOXEMABDMNPDR-UHFFFAOYSA-N
MW459.55 g/mol
LogP5.03
Rot. Bonds8

About 2-phenyl-N-[2-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]ethyl]benzamide

2-phenyl-N-[2-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]ethyl]benzamide (PubChem CID 86305276) has the molecular formula C29H25N5O and a molecular weight of 459.55 g/mol. Its IUPAC name is 2-phenyl-N-[2-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2-phenyl-N-[2-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]ethyl]benzamide
PubChem CID86305276
Molecular FormulaC29H25N5O
Molecular Weight459.55 g/mol
Exact Mass459.21
IUPAC Name2-phenyl-N-[2-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]ethyl]benzamide
SMILESO=C(NCCc1ccc(Cn2cc(-c3cccnc3)nn2)cc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C29H25N5O/c35-29(27-11-5-4-10-26(27)24-7-2-1-3-8-24)31-18-16-22-12-14-23(15-13-22)20-34-21-28(32-33-34)25-9-6-17-30-19-25/h1-15,17,19,21H,16,18,20H2,(H,31,35)
InChIKeyUJOXEMABDMNPDR-UHFFFAOYSA-N
XLogP5.03
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.55
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-[1-[6-(2-phenylphenoxy)hexyl]triazol-4-yl]pyridine;2-phenyl-N-[6-(4-pyridin-3-yltriazol-1-yl)hexyl]benzamide
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1-benzyl-N-[2-[4-(difluoromethoxy)phenyl]ethyl]triazole-4-carboxamide
CID 134046082
N-(2-phenylethyl)-4-pyridin-3-yl-1-benzofuran-7-carboxamide
CID 46944079
3-[1-[6-[4-(2-phenylphenyl)triazol-1-yl]hexyl]triazol-4-yl]pyridine;2-phenyl-N-[8-(4-pyridin-3-yltriazol-1-yl)octyl]benzenesulfonamide
CID 160936425

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[2-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]ethyl]benzamide?
The IUPAC name of 2-phenyl-N-[2-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]ethyl]benzamide (CID 86305276) is 2-phenyl-N-[2-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]ethyl]benzamide.
What is the SMILES notation for 2-phenyl-N-[2-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]ethyl]benzamide?
The canonical SMILES for 2-phenyl-N-[2-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]ethyl]benzamide is O=C(NCCc1ccc(Cn2cc(-c3cccnc3)nn2)cc1)c1ccccc1-c1ccccc1.
What is the InChIKey of 2-phenyl-N-[2-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]ethyl]benzamide?
The InChIKey is UJOXEMABDMNPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O/c35-29(27-11-5-4-10-26(27)24-7-2-1-3-8-24)31-18-16-22-12-14-23(15-13-22)20-34-21-28(32-33-34)25-9-6-17-30-19-25/h1-15,17,19,21H,16,18,20H2,(H,31,35).
What are the key properties of 2-phenyl-N-[2-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]ethyl]benzamide?
2-phenyl-N-[2-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]ethyl]benzamide has a molecular weight of 459.55 g/mol, XLogP of 5.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[2-[4-[(4-pyridin-3-yltriazol-1-yl)methyl]phenyl]ethyl]benzamide is sourced from PubChem (CID 86305276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).