2-(diethylamino)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]acetamide

C19H23N5O — CID 75463395

IUPAC2-(diethylamino)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]acetamide
SMILESCCN(CC)CC(=O)Nc1ccc(Cc2nnc3ccccn23)cc1
InChIInChI=1S/C19H23N5O/c1-3-23(4-2)14-19(25)20-16-10-8-15(9-11-16)13-18-22-21-17-7-5-6-12-24(17)18/h5-12H,3-4,13-14H2,1-2H3,(H,20,25)
InChIKeyXBADBDVFILWBIB-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.60
Rot. Bonds7

About 2-(diethylamino)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]acetamide

2-(diethylamino)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]acetamide (PubChem CID 75463395) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-(diethylamino)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]acetamide
PubChem CID75463395
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-(diethylamino)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]acetamide
SMILESCCN(CC)CC(=O)Nc1ccc(Cc2nnc3ccccn23)cc1
InChIInChI=1S/C19H23N5O/c1-3-23(4-2)14-19(25)20-16-10-8-15(9-11-16)13-18-22-21-17-7-5-6-12-24(17)18/h5-12H,3-4,13-14H2,1-2H3,(H,20,25)
InChIKeyXBADBDVFILWBIB-UHFFFAOYSA-N
XLogP2.60
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-2-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]propanamide
CID 56786702
1-benzyl-3,5-dimethyl-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 86936591
1,1-dioxo-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]thiolane-3-carboxamide
CID 75463283
2-(diethylamino)-N-(4-ethylphenyl)acetamide;hydrochloride
CID 3026065
2-amino-2-(oxan-4-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]acetamide;dihydrochloride
CID 120799421
N-[(1-ethylpyrazol-4-yl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline
CID 71968034
2-(furan-2-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 86934553
N-[1-(furan-2-yl)ethyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline
CID 154752004
2-(diethylamino)-N-(4-methylphenyl)acetamide
CID 26382
2-[[N-ethyl-N'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)carbamimidoyl]amino]-N-phenylacetamide
CID 111014579
2-[(2-amino-2-sulfanylideneethyl)-ethylamino]-N-phenylacetamide
CID 60729665
2-(diethylamino)-N-(4-methylphenyl)acetamide;hydrochloride
CID 138397911

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(diethylamino)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]acetamide (CID 75463395) is 2-(diethylamino)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(diethylamino)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(diethylamino)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]acetamide is CCN(CC)CC(=O)Nc1ccc(Cc2nnc3ccccn23)cc1.
What is the InChIKey of 2-(diethylamino)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]acetamide?
The InChIKey is XBADBDVFILWBIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-3-23(4-2)14-19(25)20-16-10-8-15(9-11-16)13-18-22-21-17-7-5-6-12-24(17)18/h5-12H,3-4,13-14H2,1-2H3,(H,20,25).
What are the key properties of 2-(diethylamino)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]acetamide?
2-(diethylamino)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]acetamide has a molecular weight of 337.43 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 75463395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).