N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide

C13H14N4O3 — CID 121121114

IUPACN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1cncn(CCNC(=O)c2ccc(=O)[nH]c2)c1=O
InChIInChI=1S/C13H14N4O3/c1-9-6-14-8-17(13(9)20)5-4-15-12(19)10-2-3-11(18)16-7-10/h2-3,6-8H,4-5H2,1H3,(H,15,19)(H,16,18)
InChIKeyVRKUAQFTQLRNGH-UHFFFAOYSA-N
MW274.28 g/mol
LogP-0.33
Rot. Bonds4

About N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide

N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 121121114) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID121121114
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC NameN-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1cncn(CCNC(=O)c2ccc(=O)[nH]c2)c1=O
InChIInChI=1S/C13H14N4O3/c1-9-6-14-8-17(13(9)20)5-4-15-12(19)10-2-3-11(18)16-7-10/h2-3,6-8H,4-5H2,1H3,(H,15,19)(H,16,18)
InChIKeyVRKUAQFTQLRNGH-UHFFFAOYSA-N
XLogP-0.33
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide (CID 121121114) is N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide is Cc1cncn(CCNC(=O)c2ccc(=O)[nH]c2)c1=O.
What is the InChIKey of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is VRKUAQFTQLRNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-9-6-14-8-17(13(9)20)5-4-15-12(19)10-2-3-11(18)16-7-10/h2-3,6-8H,4-5H2,1H3,(H,15,19)(H,16,18).
What are the key properties of N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 274.28 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 121121114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).