2-(3-methylpiperidin-1-yl)-2-oxo-N-(1H-pyrazolo[3,4-c]pyridin-4-yl)acetamide

C14H17N5O2 — CID 169114106

IUPAC2-(3-methylpiperidin-1-yl)-2-oxo-N-(1H-pyrazolo[3,4-c]pyridin-4-yl)acetamide
SMILESCC1CCCN(C(=O)C(=O)Nc2cncc3[nH]ncc23)C1
InChIInChI=1S/C14H17N5O2/c1-9-3-2-4-19(8-9)14(21)13(20)17-11-6-15-7-12-10(11)5-16-18-12/h5-7,9H,2-4,8H2,1H3,(H,16,18)(H,17,20)
InChIKeyFNSCHNZKJNHTCX-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.15
Rot. Bonds1

About 2-(3-methylpiperidin-1-yl)-2-oxo-N-(1H-pyrazolo[3,4-c]pyridin-4-yl)acetamide

2-(3-methylpiperidin-1-yl)-2-oxo-N-(1H-pyrazolo[3,4-c]pyridin-4-yl)acetamide (PubChem CID 169114106) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-2-oxo-N-(1H-pyrazolo[3,4-c]pyridin-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-2-oxo-N-(1H-pyrazolo[3,4-c]pyridin-4-yl)acetamide
PubChem CID169114106
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name2-(3-methylpiperidin-1-yl)-2-oxo-N-(1H-pyrazolo[3,4-c]pyridin-4-yl)acetamide
SMILESCC1CCCN(C(=O)C(=O)Nc2cncc3[nH]ncc23)C1
InChIInChI=1S/C14H17N5O2/c1-9-3-2-4-19(8-9)14(21)13(20)17-11-6-15-7-12-10(11)5-16-18-12/h5-7,9H,2-4,8H2,1H3,(H,16,18)(H,17,20)
InChIKeyFNSCHNZKJNHTCX-UHFFFAOYSA-N
XLogP1.15
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 47335793
benzyl(methyl)azanide;[7-[[2-(3-methylpiperidin-1-yl)-2-oxoacetyl]amino]-1H-pyrazolo[4,5-c]pyridin-4-yl]azanide;vanadium(2+)
CID 169113599
N-(4-hydroxy-2-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108509533
N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 47335752
N-(2-cyanophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108501574
(4-bromo-1H-pyrazol-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 56725958
N-(4-cyano-1H-pyrazol-5-yl)-3-methylpiperidine-1-carboxamide
CID 79503954
2-[(3S)-3-methylpiperidin-1-yl]-2-oxo-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 95328319
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108523071
2-methyl-5-[[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167033547
N-[2,6-di(propan-2-yl)phenyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108986491
N-isoquinolin-5-yl-2-oxo-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 71889050

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)-2-oxo-N-(1H-pyrazolo[3,4-c]pyridin-4-yl)acetamide?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-2-oxo-N-(1H-pyrazolo[3,4-c]pyridin-4-yl)acetamide (CID 169114106) is 2-(3-methylpiperidin-1-yl)-2-oxo-N-(1H-pyrazolo[3,4-c]pyridin-4-yl)acetamide.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)-2-oxo-N-(1H-pyrazolo[3,4-c]pyridin-4-yl)acetamide?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-2-oxo-N-(1H-pyrazolo[3,4-c]pyridin-4-yl)acetamide is CC1CCCN(C(=O)C(=O)Nc2cncc3[nH]ncc23)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-2-oxo-N-(1H-pyrazolo[3,4-c]pyridin-4-yl)acetamide?
The InChIKey is FNSCHNZKJNHTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-9-3-2-4-19(8-9)14(21)13(20)17-11-6-15-7-12-10(11)5-16-18-12/h5-7,9H,2-4,8H2,1H3,(H,16,18)(H,17,20).
What are the key properties of 2-(3-methylpiperidin-1-yl)-2-oxo-N-(1H-pyrazolo[3,4-c]pyridin-4-yl)acetamide?
2-(3-methylpiperidin-1-yl)-2-oxo-N-(1H-pyrazolo[3,4-c]pyridin-4-yl)acetamide has a molecular weight of 287.32 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)-2-oxo-N-(1H-pyrazolo[3,4-c]pyridin-4-yl)acetamide is sourced from PubChem (CID 169114106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).