N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)prop-2-ynamide

C24H19N5O2 — CID 166631903

IUPACN-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)prop-2-ynamide
SMILESC#CC(=O)N(c1ccc2nncn2c1)C(C(=O)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C24H19N5O2/c1-2-22(30)29(20-13-14-21-27-26-17-28(21)16-20)23(19-11-7-4-8-12-19)24(31)25-15-18-9-5-3-6-10-18/h1,3-14,16-17,23H,15H2,(H,25,31)
InChIKeySUKWIWXKKQZPAY-UHFFFAOYSA-N
MW409.45 g/mol
LogP2.75
Rot. Bonds6

About N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)prop-2-ynamide

N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)prop-2-ynamide (PubChem CID 166631903) has the molecular formula C24H19N5O2 and a molecular weight of 409.45 g/mol. Its IUPAC name is N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)prop-2-ynamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)prop-2-ynamide
PubChem CID166631903
Molecular FormulaC24H19N5O2
Molecular Weight409.45 g/mol
Exact Mass409.15
IUPAC NameN-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)prop-2-ynamide
SMILESC#CC(=O)N(c1ccc2nncn2c1)C(C(=O)NCc1ccccc1)c1ccccc1
InChIInChI=1S/C24H19N5O2/c1-2-22(30)29(20-13-14-21-27-26-17-28(21)16-20)23(19-11-7-4-8-12-19)24(31)25-15-18-9-5-3-6-10-18/h1,3-14,16-17,23H,15H2,(H,25,31)
InChIKeySUKWIWXKKQZPAY-UHFFFAOYSA-N
XLogP2.75
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-(1-methylindazol-5-yl)prop-2-ynamide
CID 166635482
N-(3-aminophenyl)-N-[1-(4-aminophenyl)-2-(benzylamino)-2-oxoethyl]prop-2-ynamide
CID 166629964
N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-(3-chloro-2-fluorophenyl)prop-2-ynamide
CID 166630463
N-[2-(benzylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N-(3-chlorophenyl)prop-2-ynamide
CID 166629519
methyl 4-[[1-(3-aminophenyl)-2-(benzylamino)-2-oxoethyl]-prop-2-ynoylamino]benzoate
CID 166634044
N-[1-(3-aminophenyl)-2-(benzylamino)-2-oxoethyl]-N-(3-chloro-4-methoxyphenyl)prop-2-ynamide
CID 166634980
N-[1-(3-aminophenyl)-2-(benzylamino)-2-oxoethyl]-N-(3-chloro-2-fluorophenyl)prop-2-ynamide
CID 166630014
N-[(1S)-2-(benzylamino)-2-oxo-1-phenylethyl]-N-(4-methylphenyl)thiadiazole-4-carboxamide
CID 1452073
N-(3-chlorophenyl)-N-[2-[(2-fluorophenyl)methylamino]-2-oxo-1-phenylethyl]prop-2-ynamide
CID 166633429
(2S)-N-benzyl-2-phenyl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1434572
N-[(1S)-2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-[3-methyl-4-(tetrazol-1-yl)phenyl]prop-2-ynamide
CID 1466114
N-[(4-chlorophenyl)methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 71933759

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)prop-2-ynamide?
The IUPAC name of N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)prop-2-ynamide (CID 166631903) is N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)prop-2-ynamide.
What is the SMILES notation for N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)prop-2-ynamide?
The canonical SMILES for N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)prop-2-ynamide is C#CC(=O)N(c1ccc2nncn2c1)C(C(=O)NCc1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)prop-2-ynamide?
The InChIKey is SUKWIWXKKQZPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2/c1-2-22(30)29(20-13-14-21-27-26-17-28(21)16-20)23(19-11-7-4-8-12-19)24(31)25-15-18-9-5-3-6-10-18/h1,3-14,16-17,23H,15H2,(H,25,31).
What are the key properties of N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)prop-2-ynamide?
N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)prop-2-ynamide has a molecular weight of 409.45 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-2-oxo-1-phenylethyl]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)prop-2-ynamide is sourced from PubChem (CID 166631903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).