4-[[5-(2,4-dioxo-1,3-diazinan-1-yl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid

C16H20N4O4 — CID 168882205

IUPAC4-[[5-(2,4-dioxo-1,3-diazinan-1-yl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C1CCN(c2ccc(NC3CCC(C(=O)O)CC3)nc2)C(=O)N1
InChIInChI=1S/C16H20N4O4/c21-14-7-8-20(16(24)19-14)12-5-6-13(17-9-12)18-11-3-1-10(2-4-11)15(22)23/h5-6,9-11H,1-4,7-8H2,(H,17,18)(H,22,23)(H,19,21,24)
InChIKeySVDXQXRHNGLPAW-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.58
Rot. Bonds4

About 4-[[5-(2,4-dioxo-1,3-diazinan-1-yl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid

4-[[5-(2,4-dioxo-1,3-diazinan-1-yl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 168882205) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 4-[[5-(2,4-dioxo-1,3-diazinan-1-yl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[5-(2,4-dioxo-1,3-diazinan-1-yl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
PubChem CID168882205
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name4-[[5-(2,4-dioxo-1,3-diazinan-1-yl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C1CCN(c2ccc(NC3CCC(C(=O)O)CC3)nc2)C(=O)N1
InChIInChI=1S/C16H20N4O4/c21-14-7-8-20(16(24)19-14)12-5-6-13(17-9-12)18-11-3-1-10(2-4-11)15(22)23/h5-6,9-11H,1-4,7-8H2,(H,17,18)(H,22,23)(H,19,21,24)
InChIKeySVDXQXRHNGLPAW-UHFFFAOYSA-N
XLogP1.58
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[5-(2,4-dioxo-1,3-diazinan-1-yl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2,4-dioxo-1,3-diazinan-1-yl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[5-(2,4-dioxo-1,3-diazinan-1-yl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid (CID 168882205) is 4-[[5-(2,4-dioxo-1,3-diazinan-1-yl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[5-(2,4-dioxo-1,3-diazinan-1-yl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[5-(2,4-dioxo-1,3-diazinan-1-yl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid is O=C1CCN(c2ccc(NC3CCC(C(=O)O)CC3)nc2)C(=O)N1.
What is the InChIKey of 4-[[5-(2,4-dioxo-1,3-diazinan-1-yl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is SVDXQXRHNGLPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c21-14-7-8-20(16(24)19-14)12-5-6-13(17-9-12)18-11-3-1-10(2-4-11)15(22)23/h5-6,9-11H,1-4,7-8H2,(H,17,18)(H,22,23)(H,19,21,24).
What are the key properties of 4-[[5-(2,4-dioxo-1,3-diazinan-1-yl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid?
4-[[5-(2,4-dioxo-1,3-diazinan-1-yl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 332.36 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2,4-dioxo-1,3-diazinan-1-yl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 168882205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).