N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)propanamide

C27H22N6O — CID 134137213

IUPACN-(5-phenyl-2-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(-c2ccccc2)cn1)n1nnc(-c2ccncc2)c1-c1ccccc1
InChIInChI=1S/C27H22N6O/c1-19(27(34)30-24-13-12-23(18-29-24)20-8-4-2-5-9-20)33-26(22-10-6-3-7-11-22)25(31-32-33)21-14-16-28-17-15-21/h2-19H,1H3,(H,29,30,34)
InChIKeyDLDMTTLLKKDQDX-UHFFFAOYSA-N
MW446.51 g/mol
LogP5.27
Rot. Bonds6

About N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)propanamide

N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)propanamide (PubChem CID 134137213) has the molecular formula C27H22N6O and a molecular weight of 446.51 g/mol. Its IUPAC name is N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-phenyl-2-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)propanamide
PubChem CID134137213
Molecular FormulaC27H22N6O
Molecular Weight446.51 g/mol
Exact Mass446.19
IUPAC NameN-(5-phenyl-2-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(-c2ccccc2)cn1)n1nnc(-c2ccncc2)c1-c1ccccc1
InChIInChI=1S/C27H22N6O/c1-19(27(34)30-24-13-12-23(18-29-24)20-8-4-2-5-9-20)33-26(22-10-6-3-7-11-22)25(31-32-33)21-14-16-28-17-15-21/h2-19H,1H3,(H,29,30,34)
InChIKeyDLDMTTLLKKDQDX-UHFFFAOYSA-N
XLogP5.27
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.51
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)propanamide?
The IUPAC name of N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)propanamide (CID 134137213) is N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)propanamide.
What is the SMILES notation for N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)propanamide?
The canonical SMILES for N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)propanamide is CC(C(=O)Nc1ccc(-c2ccccc2)cn1)n1nnc(-c2ccncc2)c1-c1ccccc1.
What is the InChIKey of N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)propanamide?
The InChIKey is DLDMTTLLKKDQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N6O/c1-19(27(34)30-24-13-12-23(18-29-24)20-8-4-2-5-9-20)33-26(22-10-6-3-7-11-22)25(31-32-33)21-14-16-28-17-15-21/h2-19H,1H3,(H,29,30,34).
What are the key properties of N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)propanamide?
N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)propanamide has a molecular weight of 446.51 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-2-pyridinyl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)propanamide is sourced from PubChem (CID 134137213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).