N-(2-aminoethyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2-phenylethyl)propanamide

C19H23N5O2 — CID 120884670

IUPACN-(2-aminoethyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2-phenylethyl)propanamide
SMILESNCCN(CCc1ccccc1)C(=O)CCn1nc2ccccn2c1=O
InChIInChI=1S/C19H23N5O2/c20-11-15-22(13-9-16-6-2-1-3-7-16)18(25)10-14-24-19(26)23-12-5-4-8-17(23)21-24/h1-8,12H,9-11,13-15,20H2
InChIKeyOQCURLJGSRFFKV-UHFFFAOYSA-N
MW353.43 g/mol
LogP0.92
Rot. Bonds8

About N-(2-aminoethyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2-phenylethyl)propanamide

N-(2-aminoethyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2-phenylethyl)propanamide (PubChem CID 120884670) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2-phenylethyl)propanamide
PubChem CID120884670
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-(2-aminoethyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2-phenylethyl)propanamide
SMILESNCCN(CCc1ccccc1)C(=O)CCn1nc2ccccn2c1=O
InChIInChI=1S/C19H23N5O2/c20-11-15-22(13-9-16-6-2-1-3-7-16)18(25)10-14-24-19(26)23-12-5-4-8-17(23)21-24/h1-8,12H,9-11,13-15,20H2
InChIKeyOQCURLJGSRFFKV-UHFFFAOYSA-N
XLogP0.92
TPSA85.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[ethyl-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propanoyl]amino]acetic acid
CID 119206118
N-(2-aminoethyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(2-phenylethyl)propanamide
CID 120885294
2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017704
N-(2-aminoethyl)-N-(2-phenylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;dihydrochloride
CID 120884813
N-(2-aminoethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886319
N-(2-aminoethyl)-2-(3-methyl-4-oxophthalazin-1-yl)-N-(2-phenylethyl)acetamide
CID 120886672
N-(2-aminoethyl)-3-(5-bromo-2-oxo-1-pyridinyl)-N-(2-phenylethyl)propanamide
CID 120886620
N-(2-aminoethyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-phenylethyl)propanamide
CID 120885058
N-(2-aminoethyl)-3-(4-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120884337
N-(2-aminoethyl)-N-(2-phenylethyl)-2-propylsulfanylacetamide
CID 120886262
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N-(2-aminoethyl)-3-methoxy-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886289

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2-phenylethyl)propanamide?
The IUPAC name of N-(2-aminoethyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2-phenylethyl)propanamide (CID 120884670) is N-(2-aminoethyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2-phenylethyl)propanamide?
The canonical SMILES for N-(2-aminoethyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2-phenylethyl)propanamide is NCCN(CCc1ccccc1)C(=O)CCn1nc2ccccn2c1=O.
What is the InChIKey of N-(2-aminoethyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2-phenylethyl)propanamide?
The InChIKey is OQCURLJGSRFFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c20-11-15-22(13-9-16-6-2-1-3-7-16)18(25)10-14-24-19(26)23-12-5-4-8-17(23)21-24/h1-8,12H,9-11,13-15,20H2.
What are the key properties of N-(2-aminoethyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2-phenylethyl)propanamide?
N-(2-aminoethyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2-phenylethyl)propanamide has a molecular weight of 353.43 g/mol, XLogP of 0.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 120884670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).