2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide

C13H14N4O3 — CID 39890263

IUPAC2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCn1c(=O)ccn(CC(=O)NCc2cccnc2)c1=O
InChIInChI=1S/C13H14N4O3/c1-16-12(19)4-6-17(13(16)20)9-11(18)15-8-10-3-2-5-14-7-10/h2-7H,8-9H2,1H3,(H,15,18)
InChIKeyWMGWDTZCJOPVRS-UHFFFAOYSA-N
MW274.28 g/mol
LogP-0.74
Rot. Bonds4

About 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide

2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 39890263) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID39890263
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESCn1c(=O)ccn(CC(=O)NCc2cccnc2)c1=O
InChIInChI=1S/C13H14N4O3/c1-16-12(19)4-6-17(13(16)20)9-11(18)15-8-10-3-2-5-14-7-10/h2-7H,8-9H2,1H3,(H,15,18)
InChIKeyWMGWDTZCJOPVRS-UHFFFAOYSA-N
XLogP-0.74
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[(2-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 50755367
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914909
2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 70734680
2-[1-methyl-7-(4-methylphenyl)-2,4-dioxopyrimido[4,5-d]pyrimidin-3-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 53116305
4-(1,3-dioxoisoindol-2-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 889544
N-(3-methylbutyl)-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947636
2-(N-acetylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 113167103
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]acetamide
CID 38618836
2-(4-benzyl-2,3-dioxoquinoxalin-1-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46357211
2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 53032149
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
2-[acetyl(pyridin-3-ylmethyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 113163586

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 39890263) is 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide is Cn1c(=O)ccn(CC(=O)NCc2cccnc2)c1=O.
What is the InChIKey of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is WMGWDTZCJOPVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-16-12(19)4-6-17(13(16)20)9-11(18)15-8-10-3-2-5-14-7-10/h2-7H,8-9H2,1H3,(H,15,18).
What are the key properties of 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide?
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 274.28 g/mol, XLogP of -0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 39890263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).