2-amino-2-(oxan-4-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]acetamide;dihydrochloride

C20H25Cl2N5O2 — CID 120799421

IUPAC2-amino-2-(oxan-4-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)Nc1ccc(Cc2nnc3ccccn23)cc1)C1CCOCC1
InChIInChI=1S/C20H23N5O2.2ClH/c21-19(15-8-11-27-12-9-15)20(26)22-16-6-4-14(5-7-16)13-18-24-23-17-3-1-2-10-25(17)18;;/h1-7,10,15,19H,8-9,11-13,21H2,(H,22,26);2*1H
InChIKeyLQFNKICNEBIQRO-UHFFFAOYSA-N
MW438.36 g/mol
LogP2.86
Rot. Bonds5

About 2-amino-2-(oxan-4-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]acetamide;dihydrochloride

2-amino-2-(oxan-4-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]acetamide;dihydrochloride (PubChem CID 120799421) has the molecular formula C20H25Cl2N5O2 and a molecular weight of 438.36 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]acetamide;dihydrochloride
PubChem CID120799421
Molecular FormulaC20H25Cl2N5O2
Molecular Weight438.36 g/mol
Exact Mass437.14
IUPAC Name2-amino-2-(oxan-4-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]acetamide;dihydrochloride
SMILESCl.Cl.NC(C(=O)Nc1ccc(Cc2nnc3ccccn23)cc1)C1CCOCC1
InChIInChI=1S/C20H23N5O2.2ClH/c21-19(15-8-11-27-12-9-15)20(26)22-16-6-4-14(5-7-16)13-18-24-23-17-3-1-2-10-25(17)18;;/h1-7,10,15,19H,8-9,11-13,21H2,(H,22,26);2*1H
InChIKeyLQFNKICNEBIQRO-UHFFFAOYSA-N
XLogP2.86
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.36
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]acetamide
CID 75463395
N-[4-(acetamidomethyl)phenyl]-2-amino-2-(oxan-4-yl)acetamide
CID 120792716
2-amino-2-(oxan-4-yl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]acetamide
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3-(furan-2-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]propanamide
CID 56786702
2-amino-2-(oxan-4-yl)-N-(4-pentylphenyl)acetamide
CID 120784146
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CID 86934553
2-amino-2-(oxan-4-yl)-N-[4-(triazol-1-yl)phenyl]acetamide
CID 120790998
1-(oxan-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 62385184
N-[4-[[2-amino-2-(oxan-4-yl)acetyl]amino]phenyl]-3-methylbutanamide
CID 120785588
2-amino-2-(oxan-4-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide;hydrochloride
CID 120794059
2-amino-N-(3-ethylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]acetamide;dihydrochloride?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]acetamide;dihydrochloride (CID 120799421) is 2-amino-2-(oxan-4-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]acetamide;dihydrochloride?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]acetamide;dihydrochloride is Cl.Cl.NC(C(=O)Nc1ccc(Cc2nnc3ccccn23)cc1)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]acetamide;dihydrochloride?
The InChIKey is LQFNKICNEBIQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2.2ClH/c21-19(15-8-11-27-12-9-15)20(26)22-16-6-4-14(5-7-16)13-18-24-23-17-3-1-2-10-25(17)18;;/h1-7,10,15,19H,8-9,11-13,21H2,(H,22,26);2*1H.
What are the key properties of 2-amino-2-(oxan-4-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]acetamide;dihydrochloride?
2-amino-2-(oxan-4-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]acetamide;dihydrochloride has a molecular weight of 438.36 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]acetamide;dihydrochloride is sourced from PubChem (CID 120799421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).