1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-6-methylpiperidine-3-carboxylic acid

C17H20N4O5 — CID 122113269

IUPAC1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C17H20N4O5/c1-9-4-5-10(16(24)25)8-21(9)15(23)12-7-6-11-13(18-12)19(2)17(26)20(3)14(11)22/h6-7,9-10H,4-5,8H2,1-3H3,(H,24,25)
InChIKeyYNRIAQUSCWCLKV-UHFFFAOYSA-N
MW360.37 g/mol
LogP-0.04
Rot. Bonds2

About 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-6-methylpiperidine-3-carboxylic acid

1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-6-methylpiperidine-3-carboxylic acid (PubChem CID 122113269) has the molecular formula C17H20N4O5 and a molecular weight of 360.37 g/mol. Its IUPAC name is 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-6-methylpiperidine-3-carboxylic acid
PubChem CID122113269
Molecular FormulaC17H20N4O5
Molecular Weight360.37 g/mol
Exact Mass360.14
IUPAC Name1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1
InChIInChI=1S/C17H20N4O5/c1-9-4-5-10(16(24)25)8-21(9)15(23)12-7-6-11-13(18-12)19(2)17(26)20(3)14(11)22/h6-7,9-10H,4-5,8H2,1-3H3,(H,24,25)
InChIKeyYNRIAQUSCWCLKV-UHFFFAOYSA-N
XLogP-0.04
TPSA114.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-6-methylpiperidine-3-carboxylic acid (CID 122113269) is 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-6-methylpiperidine-3-carboxylic acid is CC1CCC(C(=O)O)CN1C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1.
What is the InChIKey of 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The InChIKey is YNRIAQUSCWCLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5/c1-9-4-5-10(16(24)25)8-21(9)15(23)12-7-6-11-13(18-12)19(2)17(26)20(3)14(11)22/h6-7,9-10H,4-5,8H2,1-3H3,(H,24,25).
What are the key properties of 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-6-methylpiperidine-3-carboxylic acid?
1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-6-methylpiperidine-3-carboxylic acid has a molecular weight of 360.37 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122113269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).