N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide

C14H16N4O3 — CID 121119559

IUPACN-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCCc1cc(=O)n(CCNC(=O)c2ccc[nH]c2=O)cn1
InChIInChI=1S/C14H16N4O3/c1-2-10-8-12(19)18(9-17-10)7-6-16-14(21)11-4-3-5-15-13(11)20/h3-5,8-9H,2,6-7H2,1H3,(H,15,20)(H,16,21)
InChIKeyXEBCNEPZEJSWQM-UHFFFAOYSA-N
MW288.31 g/mol
LogP-0.08
Rot. Bonds5

About N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide

N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 121119559) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID121119559
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCCc1cc(=O)n(CCNC(=O)c2ccc[nH]c2=O)cn1
InChIInChI=1S/C14H16N4O3/c1-2-10-8-12(19)18(9-17-10)7-6-16-14(21)11-4-3-5-15-13(11)20/h3-5,8-9H,2,6-7H2,1H3,(H,15,20)(H,16,21)
InChIKeyXEBCNEPZEJSWQM-UHFFFAOYSA-N
XLogP-0.08
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide (CID 121119559) is N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide is CCc1cc(=O)n(CCNC(=O)c2ccc[nH]c2=O)cn1.
What is the InChIKey of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is XEBCNEPZEJSWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-2-10-8-12(19)18(9-17-10)7-6-16-14(21)11-4-3-5-15-13(11)20/h3-5,8-9H,2,6-7H2,1H3,(H,15,20)(H,16,21).
What are the key properties of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 288.31 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 121119559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).