1-(5-acetamidopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylic acid

C12H14N4O3 — CID 171478147

IUPAC1-(5-acetamidopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
SMILESCC(=O)Nc1cnc(N2CC=C(C(=O)O)CC2)nc1
InChIInChI=1S/C12H14N4O3/c1-8(17)15-10-6-13-12(14-7-10)16-4-2-9(3-5-16)11(18)19/h2,6-7H,3-5H2,1H3,(H,15,17)(H,18,19)
InChIKeyJVJPXDHTQDSEQH-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.66
Rot. Bonds3

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

1-(5-acetamidopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylic acid (PubChem CID 171478147) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-(5-acetamidopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-acetamidopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
PubChem CID171478147
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name1-(5-acetamidopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylic acid
SMILESCC(=O)Nc1cnc(N2CC=C(C(=O)O)CC2)nc1
InChIInChI=1S/C12H14N4O3/c1-8(17)15-10-6-13-12(14-7-10)16-4-2-9(3-5-16)11(18)19/h2,6-7H,3-5H2,1H3,(H,15,17)(H,18,19)
InChIKeyJVJPXDHTQDSEQH-UHFFFAOYSA-N
XLogP0.66
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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CID 107587545
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CID 107589173

Frequently Asked Questions

What is the IUPAC name of 1-(5-acetamidopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The IUPAC name of 1-(5-acetamidopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylic acid (CID 171478147) is 1-(5-acetamidopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylic acid.
What is the SMILES notation for 1-(5-acetamidopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The canonical SMILES for 1-(5-acetamidopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylic acid is CC(=O)Nc1cnc(N2CC=C(C(=O)O)CC2)nc1.
What is the InChIKey of 1-(5-acetamidopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylic acid?
The InChIKey is JVJPXDHTQDSEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-8(17)15-10-6-13-12(14-7-10)16-4-2-9(3-5-16)11(18)19/h2,6-7H,3-5H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 1-(5-acetamidopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylic acid?
1-(5-acetamidopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylic acid has a molecular weight of 262.27 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetamidopyrimidin-2-yl)-3,6-dihydro-2H-pyridine-4-carboxylic acid is sourced from PubChem (CID 171478147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).