6-(2-methylpyrazole-3-carbonyl)-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide

C19H23N5O2 — CID 154579532

IUPAC6-(2-methylpyrazole-3-carbonyl)-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
SMILESCn1nccc1C(=O)N1CC(C(=O)NCc2ccncc2)C2(CCC2)C1
InChIInChI=1S/C19H23N5O2/c1-23-16(5-10-22-23)18(26)24-12-15(19(13-24)6-2-7-19)17(25)21-11-14-3-8-20-9-4-14/h3-5,8-10,15H,2,6-7,11-13H2,1H3,(H,21,25)
InChIKeyVFGRCVALUVABIV-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.37
Rot. Bonds4

About 6-(2-methylpyrazole-3-carbonyl)-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide

6-(2-methylpyrazole-3-carbonyl)-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide (PubChem CID 154579532) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 6-(2-methylpyrazole-3-carbonyl)-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide.

Molecular Properties

Compound Name6-(2-methylpyrazole-3-carbonyl)-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
PubChem CID154579532
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name6-(2-methylpyrazole-3-carbonyl)-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide
SMILESCn1nccc1C(=O)N1CC(C(=O)NCc2ccncc2)C2(CCC2)C1
InChIInChI=1S/C19H23N5O2/c1-23-16(5-10-22-23)18(26)24-12-15(19(13-24)6-2-7-19)17(25)21-11-14-3-8-20-9-4-14/h3-5,8-10,15H,2,6-7,11-13H2,1H3,(H,21,25)
InChIKeyVFGRCVALUVABIV-UHFFFAOYSA-N
XLogP1.37
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpyrazole-3-carbonyl)-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide?
The IUPAC name of 6-(2-methylpyrazole-3-carbonyl)-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide (CID 154579532) is 6-(2-methylpyrazole-3-carbonyl)-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide.
What is the SMILES notation for 6-(2-methylpyrazole-3-carbonyl)-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide?
The canonical SMILES for 6-(2-methylpyrazole-3-carbonyl)-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide is Cn1nccc1C(=O)N1CC(C(=O)NCc2ccncc2)C2(CCC2)C1.
What is the InChIKey of 6-(2-methylpyrazole-3-carbonyl)-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide?
The InChIKey is VFGRCVALUVABIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-23-16(5-10-22-23)18(26)24-12-15(19(13-24)6-2-7-19)17(25)21-11-14-3-8-20-9-4-14/h3-5,8-10,15H,2,6-7,11-13H2,1H3,(H,21,25).
What are the key properties of 6-(2-methylpyrazole-3-carbonyl)-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide?
6-(2-methylpyrazole-3-carbonyl)-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpyrazole-3-carbonyl)-N-(pyridin-4-ylmethyl)-6-azaspiro[3.4]octane-8-carboxamide is sourced from PubChem (CID 154579532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).