5-amino-N-benzyl-N-(2-phenylethyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide

C27H24N6O — CID 23552617

IUPAC5-amino-N-benzyl-N-(2-phenylethyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
SMILESNc1cc(C(=O)N(CCc2ccccc2)Cc2ccccc2)cc2nc(-c3cccnc3)nn12
InChIInChI=1S/C27H24N6O/c28-24-16-23(17-25-30-26(31-33(24)25)22-12-7-14-29-18-22)27(34)32(19-21-10-5-2-6-11-21)15-13-20-8-3-1-4-9-20/h1-12,14,16-18H,13,15,19,28H2
InChIKeyWXVWDXZKKFQIRN-UHFFFAOYSA-N
MW448.53 g/mol
LogP4.26
Rot. Bonds7

About 5-amino-N-benzyl-N-(2-phenylethyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide

5-amino-N-benzyl-N-(2-phenylethyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide (PubChem CID 23552617) has the molecular formula C27H24N6O and a molecular weight of 448.53 g/mol. Its IUPAC name is 5-amino-N-benzyl-N-(2-phenylethyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-amino-N-benzyl-N-(2-phenylethyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
PubChem CID23552617
Molecular FormulaC27H24N6O
Molecular Weight448.53 g/mol
Exact Mass448.20
IUPAC Name5-amino-N-benzyl-N-(2-phenylethyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
SMILESNc1cc(C(=O)N(CCc2ccccc2)Cc2ccccc2)cc2nc(-c3cccnc3)nn12
InChIInChI=1S/C27H24N6O/c28-24-16-23(17-25-30-26(31-33(24)25)22-12-7-14-29-18-22)27(34)32(19-21-10-5-2-6-11-21)15-13-20-8-3-1-4-9-20/h1-12,14,16-18H,13,15,19,28H2
InChIKeyWXVWDXZKKFQIRN-UHFFFAOYSA-N
XLogP4.26
TPSA89.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-amino-N-benzyl-N-(2-phenylethyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide with MolForge

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Related Compounds

5-amino-N,N-diethyl-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
CID 23552688
1-(5-amino-3-pyridin-3-yl-1,2,4-triazol-1-yl)-3-phenylpropan-1-one
CID 971024
N-(2-aminoethyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 120885554
2,7-diphenyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 18313636
2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dibenzylacetamide
CID 2462758
N-[(4-phenylphenyl)methyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 42796236
N-benzyl-7-(3-methoxyphenyl)-2-phenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 46079657
N-benzyl-N-ethyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 53047532
N-benzyl-N-ethylpyridine-3-carboxamide;hydrochloride
CID 110755487
N-(1-benzofuran-2-ylmethyl)-N-(2-phenylethyl)pyridine-4-carboxamide
CID 42796265
5-amino-N-[(2-chlorophenyl)methyl]-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
CID 23552552
potassium N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)carbamodithioate
CID 102336342

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-benzyl-N-(2-phenylethyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of 5-amino-N-benzyl-N-(2-phenylethyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide (CID 23552617) is 5-amino-N-benzyl-N-(2-phenylethyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for 5-amino-N-benzyl-N-(2-phenylethyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for 5-amino-N-benzyl-N-(2-phenylethyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide is Nc1cc(C(=O)N(CCc2ccccc2)Cc2ccccc2)cc2nc(-c3cccnc3)nn12.
What is the InChIKey of 5-amino-N-benzyl-N-(2-phenylethyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The InChIKey is WXVWDXZKKFQIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O/c28-24-16-23(17-25-30-26(31-33(24)25)22-12-7-14-29-18-22)27(34)32(19-21-10-5-2-6-11-21)15-13-20-8-3-1-4-9-20/h1-12,14,16-18H,13,15,19,28H2.
What are the key properties of 5-amino-N-benzyl-N-(2-phenylethyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
5-amino-N-benzyl-N-(2-phenylethyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-benzyl-N-(2-phenylethyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 23552617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).