2-amino-2-(1-methylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)acetamide

C13H17N5O — CID 115289665

IUPAC2-amino-2-(1-methylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)acetamide
SMILESCn1cc(C(N)C(=O)NCCc2ccccn2)cn1
InChIInChI=1S/C13H17N5O/c1-18-9-10(8-17-18)12(14)13(19)16-7-5-11-4-2-3-6-15-11/h2-4,6,8-9,12H,5,7,14H2,1H3,(H,16,19)
InChIKeyVTRRPHSAYABQDF-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.17
Rot. Bonds5

About 2-amino-2-(1-methylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)acetamide

2-amino-2-(1-methylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)acetamide (PubChem CID 115289665) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-amino-2-(1-methylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-amino-2-(1-methylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)acetamide
PubChem CID115289665
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-amino-2-(1-methylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)acetamide
SMILESCn1cc(C(N)C(=O)NCCc2ccccn2)cn1
InChIInChI=1S/C13H17N5O/c1-18-9-10(8-17-18)12(14)13(19)16-7-5-11-4-2-3-6-15-11/h2-4,6,8-9,12H,5,7,14H2,1H3,(H,16,19)
InChIKeyVTRRPHSAYABQDF-UHFFFAOYSA-N
XLogP0.17
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 115289633
2-amino-2-(1-methylpyrazol-4-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 115290732
N-(2-acetamidoethyl)-2-amino-2-(1-methylpyrazol-4-yl)acetamide
CID 113279811
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
2-amino-N-ethyl-2-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 115290980
2-amino-N-(3-aminopropyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290433
N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide
CID 124567895
2-amino-2-(1-methylpyrazol-4-yl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 114183640
2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide
CID 24698631
2-amino-2-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 113279783
2-amino-N-(2-methyl-2-phenylpropyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290258
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115289768

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-methylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-amino-2-(1-methylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)acetamide (CID 115289665) is 2-amino-2-(1-methylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-amino-2-(1-methylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-amino-2-(1-methylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)acetamide is Cn1cc(C(N)C(=O)NCCc2ccccn2)cn1.
What is the InChIKey of 2-amino-2-(1-methylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)acetamide?
The InChIKey is VTRRPHSAYABQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-18-9-10(8-17-18)12(14)13(19)16-7-5-11-4-2-3-6-15-11/h2-4,6,8-9,12H,5,7,14H2,1H3,(H,16,19).
What are the key properties of 2-amino-2-(1-methylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)acetamide?
2-amino-2-(1-methylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)acetamide has a molecular weight of 259.31 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(1-methylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 115289665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).