5,8-Dihydro-8-ethyl-2-(4-methyl-1-piperazinyl)-5-oxopyrido-[2,3-d]pyrimidine-6-carboxylic acid

C15H19N5O3 — CID 12379019

IUPAC8-ethyl-2-(4-methylpiperazin-1-yl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESCCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C)C(=O)O
InChIInChI=1S/C15H19N5O3/c1-3-19-9-11(14(22)23)12(21)10-8-16-15(17-13(10)19)20-6-4-18(2)5-7-20/h8-9H,3-7H2,1-2H3,(H,22,23)
InChIKeyADIBMWKWRKIHTC-UHFFFAOYSA-N
MW317.34 g/mol
LogP-1.70
Rot. Bonds3

About 5,8-Dihydro-8-ethyl-2-(4-methyl-1-piperazinyl)-5-oxopyrido-[2,3-d]pyrimidine-6-carboxylic acid

5,8-Dihydro-8-ethyl-2-(4-methyl-1-piperazinyl)-5-oxopyrido-[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 12379019) has the molecular formula C15H19N5O3 and a molecular weight of 317.34 g/mol. Its IUPAC name is 8-ethyl-2-(4-methylpiperazin-1-yl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5,8-Dihydro-8-ethyl-2-(4-methyl-1-piperazinyl)-5-oxopyrido-[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID12379019
Molecular FormulaC15H19N5O3
Molecular Weight317.34 g/mol
Exact Mass317.15
IUPAC Name8-ethyl-2-(4-methylpiperazin-1-yl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
SMILESCCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C)C(=O)O
InChIInChI=1S/C15H19N5O3/c1-3-19-9-11(14(22)23)12(21)10-8-16-15(17-13(10)19)20-6-4-18(2)5-7-20/h8-9H,3-7H2,1-2H3,(H,22,23)
InChIKeyADIBMWKWRKIHTC-UHFFFAOYSA-N
XLogP-1.70
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity515

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 5-1.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5,8-Dihydro-8-ethyl-2-(4-methyl-1-piperazinyl)-5-oxopyrido-[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 5,8-Dihydro-8-ethyl-2-(4-methyl-1-piperazinyl)-5-oxopyrido-[2,3-d]pyrimidine-6-carboxylic acid (CID 12379019) is 8-ethyl-2-(4-methylpiperazin-1-yl)-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5,8-Dihydro-8-ethyl-2-(4-methyl-1-piperazinyl)-5-oxopyrido-[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 5,8-Dihydro-8-ethyl-2-(4-methyl-1-piperazinyl)-5-oxopyrido-[2,3-d]pyrimidine-6-carboxylic acid is CCN1C=C(C(=O)C2=CN=C(N=C21)N3CCN(CC3)C)C(=O)O.
What is the InChIKey of 5,8-Dihydro-8-ethyl-2-(4-methyl-1-piperazinyl)-5-oxopyrido-[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is ADIBMWKWRKIHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-3-19-9-11(14(22)23)12(21)10-8-16-15(17-13(10)19)20-6-4-18(2)5-7-20/h8-9H,3-7H2,1-2H3,(H,22,23).
What are the key properties of 5,8-Dihydro-8-ethyl-2-(4-methyl-1-piperazinyl)-5-oxopyrido-[2,3-d]pyrimidine-6-carboxylic acid?
5,8-Dihydro-8-ethyl-2-(4-methyl-1-piperazinyl)-5-oxopyrido-[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 317.34 g/mol, XLogP of -1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-Dihydro-8-ethyl-2-(4-methyl-1-piperazinyl)-5-oxopyrido-[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 12379019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).