6-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]pyridine-2-carboxylic acid

C15H18N4O3 — CID 122055512

IUPAC6-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]pyridine-2-carboxylic acid
SMILESCn1cc([C@H]2OCCC[C@@H]2Nc2cccc(C(=O)O)n2)cn1
InChIInChI=1S/C15H18N4O3/c1-19-9-10(8-16-19)14-11(5-3-7-22-14)17-13-6-2-4-12(18-13)15(20)21/h2,4,6,8-9,11,14H,3,5,7H2,1H3,(H,17,18)(H,20,21)/t11-,14+/m0/s1
InChIKeyXSLMDDXSWHKJIL-SMDDNHRTSA-N
MW302.33 g/mol
LogP1.85
Rot. Bonds4

About 6-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]pyridine-2-carboxylic acid

6-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]pyridine-2-carboxylic acid (PubChem CID 122055512) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 6-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]pyridine-2-carboxylic acid
PubChem CID122055512
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name6-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]pyridine-2-carboxylic acid
SMILESCn1cc([C@H]2OCCC[C@@H]2Nc2cccc(C(=O)O)n2)cn1
InChIInChI=1S/C15H18N4O3/c1-19-9-10(8-16-19)14-11(5-3-7-22-14)17-13-6-2-4-12(18-13)15(20)21/h2,4,6,8-9,11,14H,3,5,7H2,1H3,(H,17,18)(H,20,21)/t11-,14+/m0/s1
InChIKeyXSLMDDXSWHKJIL-SMDDNHRTSA-N
XLogP1.85
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]pyridine-2-carboxylic acid (CID 122055512) is 6-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]pyridine-2-carboxylic acid is Cn1cc([C@H]2OCCC[C@@H]2Nc2cccc(C(=O)O)n2)cn1.
What is the InChIKey of 6-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]pyridine-2-carboxylic acid?
The InChIKey is XSLMDDXSWHKJIL-SMDDNHRTSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-19-9-10(8-16-19)14-11(5-3-7-22-14)17-13-6-2-4-12(18-13)15(20)21/h2,4,6,8-9,11,14H,3,5,7H2,1H3,(H,17,18)(H,20,21)/t11-,14+/m0/s1.
What are the key properties of 6-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]pyridine-2-carboxylic acid?
6-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]pyridine-2-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122055512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).