N-(2-methyl-4-oxopentan-3-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

C14H22N4O3 — CID 62936485

IUPACN-(2-methyl-4-oxopentan-3-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESCC(=O)C(NC(=O)Cn1nc2n(c1=O)CCCC2)C(C)C
InChIInChI=1S/C14H22N4O3/c1-9(2)13(10(3)19)15-12(20)8-18-14(21)17-7-5-4-6-11(17)16-18/h9,13H,4-8H2,1-3H3,(H,15,20)
InChIKeyTVWYWRWMRFVDJK-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.11
Rot. Bonds5

About N-(2-methyl-4-oxopentan-3-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

N-(2-methyl-4-oxopentan-3-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (PubChem CID 62936485) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(2-methyl-4-oxopentan-3-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-4-oxopentan-3-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
PubChem CID62936485
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC NameN-(2-methyl-4-oxopentan-3-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESCC(=O)C(NC(=O)Cn1nc2n(c1=O)CCCC2)C(C)C
InChIInChI=1S/C14H22N4O3/c1-9(2)13(10(3)19)15-12(20)8-18-14(21)17-7-5-4-6-11(17)16-18/h9,13H,4-8H2,1-3H3,(H,15,20)
InChIKeyTVWYWRWMRFVDJK-UHFFFAOYSA-N
XLogP0.11
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-oxopentan-3-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The IUPAC name of N-(2-methyl-4-oxopentan-3-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (CID 62936485) is N-(2-methyl-4-oxopentan-3-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.
What is the SMILES notation for N-(2-methyl-4-oxopentan-3-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The canonical SMILES for N-(2-methyl-4-oxopentan-3-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is CC(=O)C(NC(=O)Cn1nc2n(c1=O)CCCC2)C(C)C.
What is the InChIKey of N-(2-methyl-4-oxopentan-3-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The InChIKey is TVWYWRWMRFVDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-9(2)13(10(3)19)15-12(20)8-18-14(21)17-7-5-4-6-11(17)16-18/h9,13H,4-8H2,1-3H3,(H,15,20).
What are the key properties of N-(2-methyl-4-oxopentan-3-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
N-(2-methyl-4-oxopentan-3-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide has a molecular weight of 294.36 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-oxopentan-3-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is sourced from PubChem (CID 62936485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).