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

C16H20N4O3 — CID 72878579

IUPACN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)n(CCNC(=O)c2c(C)cc(C)[nH]c2=O)c(=O)n1
InChIInChI=1S/C16H20N4O3/c1-9-7-10(2)18-15(22)13(9)14(21)17-5-6-20-12(4)8-11(3)19-16(20)23/h7-8H,5-6H2,1-4H3,(H,17,21)(H,18,22)
InChIKeyGTFFFLXJFLRNJP-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.60
Rot. Bonds4

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

N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 72878579) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID72878579
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C)n(CCNC(=O)c2c(C)cc(C)[nH]c2=O)c(=O)n1
InChIInChI=1S/C16H20N4O3/c1-9-7-10(2)18-15(22)13(9)14(21)17-5-6-20-12(4)8-11(3)19-16(20)23/h7-8H,5-6H2,1-4H3,(H,17,21)(H,18,22)
InChIKeyGTFFFLXJFLRNJP-UHFFFAOYSA-N
XLogP0.60
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 ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (CID 72878579) is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(C)n(CCNC(=O)c2c(C)cc(C)[nH]c2=O)c(=O)n1.
What is the InChIKey of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is GTFFFLXJFLRNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-9-7-10(2)18-15(22)13(9)14(21)17-5-6-20-12(4)8-11(3)19-16(20)23/h7-8H,5-6H2,1-4H3,(H,17,21)(H,18,22).
What are the key properties of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 72878579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).