1,4,6-trimethyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-oxopyridine-3-carboxamide

C16H20N4O3 — CID 137021895

IUPAC1,4,6-trimethyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-oxopyridine-3-carboxamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)c2c(C)cc(C)n(C)c2=O)n1
InChIInChI=1S/C16H20N4O3/c1-9-7-11(3)20(4)16(23)14(9)15(22)17-6-5-12-18-10(2)8-13(21)19-12/h7-8H,5-6H2,1-4H3,(H,17,22)(H,18,19,21)
InChIKeyBTBHUDDHFNEZSU-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.37
Rot. Bonds4

About 1,4,6-trimethyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-oxopyridine-3-carboxamide

1,4,6-trimethyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-oxopyridine-3-carboxamide (PubChem CID 137021895) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1,4,6-trimethyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1,4,6-trimethyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-oxopyridine-3-carboxamide
PubChem CID137021895
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name1,4,6-trimethyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-oxopyridine-3-carboxamide
SMILESCc1cc(=O)[nH]c(CCNC(=O)c2c(C)cc(C)n(C)c2=O)n1
InChIInChI=1S/C16H20N4O3/c1-9-7-11(3)20(4)16(23)14(9)15(22)17-6-5-12-18-10(2)8-13(21)19-12/h7-8H,5-6H2,1-4H3,(H,17,22)(H,18,19,21)
InChIKeyBTBHUDDHFNEZSU-UHFFFAOYSA-N
XLogP0.37
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4,6-trimethyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of 1,4,6-trimethyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-oxopyridine-3-carboxamide (CID 137021895) is 1,4,6-trimethyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1,4,6-trimethyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1,4,6-trimethyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-oxopyridine-3-carboxamide is Cc1cc(=O)[nH]c(CCNC(=O)c2c(C)cc(C)n(C)c2=O)n1.
What is the InChIKey of 1,4,6-trimethyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-oxopyridine-3-carboxamide?
The InChIKey is BTBHUDDHFNEZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-9-7-11(3)20(4)16(23)14(9)15(22)17-6-5-12-18-10(2)8-13(21)19-12/h7-8H,5-6H2,1-4H3,(H,17,22)(H,18,19,21).
What are the key properties of 1,4,6-trimethyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-oxopyridine-3-carboxamide?
1,4,6-trimethyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-oxopyridine-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-trimethyl-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 137021895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).