N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide

C14H16N4O3 — CID 39994544

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCc1cc(C)c(CNC(=O)Cn2cccnc2=O)c(=O)[nH]1
InChIInChI=1S/C14H16N4O3/c1-9-6-10(2)17-13(20)11(9)7-16-12(19)8-18-5-3-4-15-14(18)21/h3-6H,7-8H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyQPJQSHKWQAXWML-UHFFFAOYSA-N
MW288.31 g/mol
LogP-0.14
Rot. Bonds4

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide (PubChem CID 39994544) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide
PubChem CID39994544
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide
SMILESCc1cc(C)c(CNC(=O)Cn2cccnc2=O)c(=O)[nH]1
InChIInChI=1S/C14H16N4O3/c1-9-6-10(2)17-13(20)11(9)7-16-12(19)8-18-5-3-4-15-14(18)21/h3-6H,7-8H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyQPJQSHKWQAXWML-UHFFFAOYSA-N
XLogP-0.14
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide (CID 39994544) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide is Cc1cc(C)c(CNC(=O)Cn2cccnc2=O)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide?
The InChIKey is QPJQSHKWQAXWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9-6-10(2)17-13(20)11(9)7-16-12(19)8-18-5-3-4-15-14(18)21/h3-6H,7-8H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide has a molecular weight of 288.31 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 39994544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).