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

C12H15N5O — CID 115289633

IUPAC2-amino-2-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCn1cc(C(N)C(=O)NCc2ccccn2)cn1
InChIInChI=1S/C12H15N5O/c1-17-8-9(6-16-17)11(13)12(18)15-7-10-4-2-3-5-14-10/h2-6,8,11H,7,13H2,1H3,(H,15,18)
InChIKeyBKPGZOIXRVSQOA-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.13
Rot. Bonds4

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

2-amino-2-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 115289633) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-amino-2-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-amino-2-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID115289633
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-amino-2-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCn1cc(C(N)C(=O)NCc2ccccn2)cn1
InChIInChI=1S/C12H15N5O/c1-17-8-9(6-16-17)11(13)12(18)15-7-10-4-2-3-5-14-10/h2-6,8,11H,7,13H2,1H3,(H,15,18)
InChIKeyBKPGZOIXRVSQOA-UHFFFAOYSA-N
XLogP0.13
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-(1-methylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)acetamide
CID 115289665
2-amino-2-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 113279783
2-amino-N-ethyl-2-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 115290980
2-amino-N-[(3-bromophenyl)methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115290479
2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]acetic acid
CID 115290299
N-(2-acetamidoethyl)-2-amino-2-(1-methylpyrazol-4-yl)acetamide
CID 113279811
2-amino-N-(2-methyl-2-phenylpropyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290258
2-amino-N-but-3-ynyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115290756
2-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 106047403
2-amino-N-(3-aminopropyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290433
2-amino-2-(1-methylpyrazol-4-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 115290732
2-amino-2-(1-methylpyrazol-4-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 113279847

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-amino-2-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 115289633) is 2-amino-2-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-amino-2-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-amino-2-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide is Cn1cc(C(N)C(=O)NCc2ccccn2)cn1.
What is the InChIKey of 2-amino-2-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is BKPGZOIXRVSQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-17-8-9(6-16-17)11(13)12(18)15-7-10-4-2-3-5-14-10/h2-6,8,11H,7,13H2,1H3,(H,15,18).
What are the key properties of 2-amino-2-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide?
2-amino-2-(1-methylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 245.29 g/mol, XLogP of 0.13, 4 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-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 115289633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).