methyl 1-(5-acetamidopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate

C13H16N4O3 — CID 171478151

IUPACmethyl 1-(5-acetamidopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate
SMILESCOC(=O)C1=CCN(c2ncc(NC(C)=O)cn2)CC1
InChIInChI=1S/C13H16N4O3/c1-9(18)16-11-7-14-13(15-8-11)17-5-3-10(4-6-17)12(19)20-2/h3,7-8H,4-6H2,1-2H3,(H,16,18)
InChIKeyOGFKMJMJNHHVRF-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.74
Rot. Bonds3

About methyl 1-(5-acetamidopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate

methyl 1-(5-acetamidopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate (PubChem CID 171478151) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is methyl 1-(5-acetamidopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-acetamidopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate
PubChem CID171478151
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Namemethyl 1-(5-acetamidopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate
SMILESCOC(=O)C1=CCN(c2ncc(NC(C)=O)cn2)CC1
InChIInChI=1S/C13H16N4O3/c1-9(18)16-11-7-14-13(15-8-11)17-5-3-10(4-6-17)12(19)20-2/h3,7-8H,4-6H2,1-2H3,(H,16,18)
InChIKeyOGFKMJMJNHHVRF-UHFFFAOYSA-N
XLogP0.74
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-acetamidopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate?
The IUPAC name of methyl 1-(5-acetamidopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate (CID 171478151) is methyl 1-(5-acetamidopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate.
What is the SMILES notation for methyl 1-(5-acetamidopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate?
The canonical SMILES for methyl 1-(5-acetamidopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate is COC(=O)C1=CCN(c2ncc(NC(C)=O)cn2)CC1.
What is the InChIKey of methyl 1-(5-acetamidopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate?
The InChIKey is OGFKMJMJNHHVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-9(18)16-11-7-14-13(15-8-11)17-5-3-10(4-6-17)12(19)20-2/h3,7-8H,4-6H2,1-2H3,(H,16,18).
What are the key properties of methyl 1-(5-acetamidopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate?
methyl 1-(5-acetamidopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate has a molecular weight of 276.30 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-acetamidopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylate is sourced from PubChem (CID 171478151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).