3-(1-tert-butylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)-7-oxa-2-azaspiro[3.5]nonane-2-carboxamide

C21H29N5O2 — CID 167781419

IUPAC3-(1-tert-butylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)-7-oxa-2-azaspiro[3.5]nonane-2-carboxamide
SMILESCc1ccc(NC(=O)N2CC3(CCOCC3)C2c2cnn(C(C)(C)C)c2)nc1
InChIInChI=1S/C21H29N5O2/c1-15-5-6-17(22-11-15)24-19(27)25-14-21(7-9-28-10-8-21)18(25)16-12-23-26(13-16)20(2,3)4/h5-6,11-13,18H,7-10,14H2,1-4H3,(H,22,24,27)
InChIKeyCEPQWIGNWWOWTD-UHFFFAOYSA-N
MW383.50 g/mol
LogP3.73
Rot. Bonds2

About 3-(1-tert-butylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)-7-oxa-2-azaspiro[3.5]nonane-2-carboxamide

3-(1-tert-butylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)-7-oxa-2-azaspiro[3.5]nonane-2-carboxamide (PubChem CID 167781419) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 3-(1-tert-butylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)-7-oxa-2-azaspiro[3.5]nonane-2-carboxamide.

Molecular Properties

Compound Name3-(1-tert-butylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)-7-oxa-2-azaspiro[3.5]nonane-2-carboxamide
PubChem CID167781419
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name3-(1-tert-butylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)-7-oxa-2-azaspiro[3.5]nonane-2-carboxamide
SMILESCc1ccc(NC(=O)N2CC3(CCOCC3)C2c2cnn(C(C)(C)C)c2)nc1
InChIInChI=1S/C21H29N5O2/c1-15-5-6-17(22-11-15)24-19(27)25-14-21(7-9-28-10-8-21)18(25)16-12-23-26(13-16)20(2,3)4/h5-6,11-13,18H,7-10,14H2,1-4H3,(H,22,24,27)
InChIKeyCEPQWIGNWWOWTD-UHFFFAOYSA-N
XLogP3.73
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-tert-butylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)-7-oxa-2-azaspiro[3.5]nonane-2-carboxamide?
The IUPAC name of 3-(1-tert-butylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)-7-oxa-2-azaspiro[3.5]nonane-2-carboxamide (CID 167781419) is 3-(1-tert-butylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)-7-oxa-2-azaspiro[3.5]nonane-2-carboxamide.
What is the SMILES notation for 3-(1-tert-butylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)-7-oxa-2-azaspiro[3.5]nonane-2-carboxamide?
The canonical SMILES for 3-(1-tert-butylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)-7-oxa-2-azaspiro[3.5]nonane-2-carboxamide is Cc1ccc(NC(=O)N2CC3(CCOCC3)C2c2cnn(C(C)(C)C)c2)nc1.
What is the InChIKey of 3-(1-tert-butylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)-7-oxa-2-azaspiro[3.5]nonane-2-carboxamide?
The InChIKey is CEPQWIGNWWOWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-15-5-6-17(22-11-15)24-19(27)25-14-21(7-9-28-10-8-21)18(25)16-12-23-26(13-16)20(2,3)4/h5-6,11-13,18H,7-10,14H2,1-4H3,(H,22,24,27).
What are the key properties of 3-(1-tert-butylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)-7-oxa-2-azaspiro[3.5]nonane-2-carboxamide?
3-(1-tert-butylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)-7-oxa-2-azaspiro[3.5]nonane-2-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tert-butylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)-7-oxa-2-azaspiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 167781419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).