2-amino-2-(1-methylpyrazol-4-yl)-N-quinolin-3-ylacetamide

C15H15N5O — CID 115289913

IUPAC2-amino-2-(1-methylpyrazol-4-yl)-N-quinolin-3-ylacetamide
SMILESCn1cc(C(N)C(=O)Nc2cnc3ccccc3c2)cn1
InChIInChI=1S/C15H15N5O/c1-20-9-11(7-18-20)14(16)15(21)19-12-6-10-4-2-3-5-13(10)17-8-12/h2-9,14H,16H2,1H3,(H,19,21)
InChIKeyMYZMJFZWHNYWTR-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.61
Rot. Bonds3

About 2-amino-2-(1-methylpyrazol-4-yl)-N-quinolin-3-ylacetamide

2-amino-2-(1-methylpyrazol-4-yl)-N-quinolin-3-ylacetamide (PubChem CID 115289913) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-amino-2-(1-methylpyrazol-4-yl)-N-quinolin-3-ylacetamide.

Molecular Properties

Compound Name2-amino-2-(1-methylpyrazol-4-yl)-N-quinolin-3-ylacetamide
PubChem CID115289913
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name2-amino-2-(1-methylpyrazol-4-yl)-N-quinolin-3-ylacetamide
SMILESCn1cc(C(N)C(=O)Nc2cnc3ccccc3c2)cn1
InChIInChI=1S/C15H15N5O/c1-20-9-11(7-18-20)14(16)15(21)19-12-6-10-4-2-3-5-13(10)17-8-12/h2-9,14H,16H2,1H3,(H,19,21)
InChIKeyMYZMJFZWHNYWTR-UHFFFAOYSA-N
XLogP1.61
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-3-ylethanone
CID 116604826
2-amino-2-phenyl-N-quinolin-3-ylacetamide
CID 43704715
2-amino-2-(1-methylpyrazol-4-yl)-1-quinolin-6-ylethanone
CID 116604933
2-amino-N-(3,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289627
2-amino-N-(3-iodophenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 113279787
2-amino-N-(4-iodophenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289709
2-amino-N-(3,5-difluorophenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289637
2-amino-N-(2-hydroxyphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290771
2-amino-N-(5-fluoro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 114254664
2-chloro-N-quinolin-3-ylpropanamide
CID 43346759
2-amino-N-(4-bromo-3,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 107574153
5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-2-hydroxybenzoic acid
CID 115290303

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(1-methylpyrazol-4-yl)-N-quinolin-3-ylacetamide?
The IUPAC name of 2-amino-2-(1-methylpyrazol-4-yl)-N-quinolin-3-ylacetamide (CID 115289913) is 2-amino-2-(1-methylpyrazol-4-yl)-N-quinolin-3-ylacetamide.
What is the SMILES notation for 2-amino-2-(1-methylpyrazol-4-yl)-N-quinolin-3-ylacetamide?
The canonical SMILES for 2-amino-2-(1-methylpyrazol-4-yl)-N-quinolin-3-ylacetamide is Cn1cc(C(N)C(=O)Nc2cnc3ccccc3c2)cn1.
What is the InChIKey of 2-amino-2-(1-methylpyrazol-4-yl)-N-quinolin-3-ylacetamide?
The InChIKey is MYZMJFZWHNYWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-20-9-11(7-18-20)14(16)15(21)19-12-6-10-4-2-3-5-13(10)17-8-12/h2-9,14H,16H2,1H3,(H,19,21).
What are the key properties of 2-amino-2-(1-methylpyrazol-4-yl)-N-quinolin-3-ylacetamide?
2-amino-2-(1-methylpyrazol-4-yl)-N-quinolin-3-ylacetamide has a molecular weight of 281.32 g/mol, XLogP of 1.61, 3 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-quinolin-3-ylacetamide is sourced from PubChem (CID 115289913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).