2-(2-methylpyrazole-3-carbonyl)-N-pyridin-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C19H23N5O3 — CID 91912584

IUPAC2-(2-methylpyrazole-3-carbonyl)-N-pyridin-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCn1nccc1C(=O)N1CC(C(=O)Nc2ccccn2)C2(CCOCC2)C1
InChIInChI=1S/C19H23N5O3/c1-23-15(5-9-21-23)18(26)24-12-14(19(13-24)6-10-27-11-7-19)17(25)22-16-4-2-3-8-20-16/h2-5,8-9,14H,6-7,10-13H2,1H3,(H,20,22,25)
InChIKeyDKGNCZCXUWVDOU-UHFFFAOYSA-N
MW369.43 g/mol
LogP1.32
Rot. Bonds3

About 2-(2-methylpyrazole-3-carbonyl)-N-pyridin-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

2-(2-methylpyrazole-3-carbonyl)-N-pyridin-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 91912584) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-(2-methylpyrazole-3-carbonyl)-N-pyridin-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name2-(2-methylpyrazole-3-carbonyl)-N-pyridin-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID91912584
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name2-(2-methylpyrazole-3-carbonyl)-N-pyridin-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCn1nccc1C(=O)N1CC(C(=O)Nc2ccccn2)C2(CCOCC2)C1
InChIInChI=1S/C19H23N5O3/c1-23-15(5-9-21-23)18(26)24-12-14(19(13-24)6-10-27-11-7-19)17(25)22-16-4-2-3-8-20-16/h2-5,8-9,14H,6-7,10-13H2,1H3,(H,20,22,25)
InChIKeyDKGNCZCXUWVDOU-UHFFFAOYSA-N
XLogP1.32
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrazole-3-carbonyl)-N-pyridin-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of 2-(2-methylpyrazole-3-carbonyl)-N-pyridin-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 91912584) is 2-(2-methylpyrazole-3-carbonyl)-N-pyridin-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for 2-(2-methylpyrazole-3-carbonyl)-N-pyridin-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for 2-(2-methylpyrazole-3-carbonyl)-N-pyridin-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is Cn1nccc1C(=O)N1CC(C(=O)Nc2ccccn2)C2(CCOCC2)C1.
What is the InChIKey of 2-(2-methylpyrazole-3-carbonyl)-N-pyridin-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is DKGNCZCXUWVDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-23-15(5-9-21-23)18(26)24-12-14(19(13-24)6-10-27-11-7-19)17(25)22-16-4-2-3-8-20-16/h2-5,8-9,14H,6-7,10-13H2,1H3,(H,20,22,25).
What are the key properties of 2-(2-methylpyrazole-3-carbonyl)-N-pyridin-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
2-(2-methylpyrazole-3-carbonyl)-N-pyridin-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrazole-3-carbonyl)-N-pyridin-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 91912584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).