N-[2-(5-methylpyrazol-1-yl)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide

C13H15N5O3 — CID 51049306

IUPACN-[2-(5-methylpyrazol-1-yl)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide
SMILESCc1ccnn1CCNC(=O)C(=O)Nc1c[nH]ccc1=O
InChIInChI=1S/C13H15N5O3/c1-9-2-5-16-18(9)7-6-15-12(20)13(21)17-10-8-14-4-3-11(10)19/h2-5,8H,6-7H2,1H3,(H,14,19)(H,15,20)(H,17,21)
InChIKeyWRTALIFQHKCFEA-UHFFFAOYSA-N
MW289.29 g/mol
LogP-0.37
Rot. Bonds4

About N-[2-(5-methylpyrazol-1-yl)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide

N-[2-(5-methylpyrazol-1-yl)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide (PubChem CID 51049306) has the molecular formula C13H15N5O3 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-[2-(5-methylpyrazol-1-yl)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide.

Molecular Properties

Compound NameN-[2-(5-methylpyrazol-1-yl)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide
PubChem CID51049306
Molecular FormulaC13H15N5O3
Molecular Weight289.29 g/mol
Exact Mass289.12
IUPAC NameN-[2-(5-methylpyrazol-1-yl)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide
SMILESCc1ccnn1CCNC(=O)C(=O)Nc1c[nH]ccc1=O
InChIInChI=1S/C13H15N5O3/c1-9-2-5-16-18(9)7-6-15-12(20)13(21)17-10-8-14-4-3-11(10)19/h2-5,8H,6-7H2,1H3,(H,14,19)(H,15,20)(H,17,21)
InChIKeyWRTALIFQHKCFEA-UHFFFAOYSA-N
XLogP-0.37
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylpyrazol-1-yl)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide?
The IUPAC name of N-[2-(5-methylpyrazol-1-yl)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide (CID 51049306) is N-[2-(5-methylpyrazol-1-yl)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide.
What is the SMILES notation for N-[2-(5-methylpyrazol-1-yl)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide?
The canonical SMILES for N-[2-(5-methylpyrazol-1-yl)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide is Cc1ccnn1CCNC(=O)C(=O)Nc1c[nH]ccc1=O.
What is the InChIKey of N-[2-(5-methylpyrazol-1-yl)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide?
The InChIKey is WRTALIFQHKCFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-9-2-5-16-18(9)7-6-15-12(20)13(21)17-10-8-14-4-3-11(10)19/h2-5,8H,6-7H2,1H3,(H,14,19)(H,15,20)(H,17,21).
What are the key properties of N-[2-(5-methylpyrazol-1-yl)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide?
N-[2-(5-methylpyrazol-1-yl)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide has a molecular weight of 289.29 g/mol, XLogP of -0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylpyrazol-1-yl)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide is sourced from PubChem (CID 51049306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).