2-[2-(tert-butylamino)-2-oxoethyl]-N-(3-cyclopropyl-2-methyl-4-pyridinyl)-2-azaspiro[3.3]heptane-6-carboxamide

C22H32N4O2 — CID 169216899

IUPAC2-[2-(tert-butylamino)-2-oxoethyl]-N-(3-cyclopropyl-2-methyl-4-pyridinyl)-2-azaspiro[3.3]heptane-6-carboxamide
SMILESCc1nccc(NC(=O)C2CC3(C2)CN(CC(=O)NC(C)(C)C)C3)c1C1CC1
InChIInChI=1S/C22H32N4O2/c1-14-19(15-5-6-15)17(7-8-23-14)24-20(28)16-9-22(10-16)12-26(13-22)11-18(27)25-21(2,3)4/h7-8,15-16H,5-6,9-13H2,1-4H3,(H,25,27)(H,23,24,28)
InChIKeyRSMZCNNTWOEHNQ-UHFFFAOYSA-N
MW384.52 g/mol
LogP2.83
Rot. Bonds5

About 2-[2-(tert-butylamino)-2-oxoethyl]-N-(3-cyclopropyl-2-methyl-4-pyridinyl)-2-azaspiro[3.3]heptane-6-carboxamide

2-[2-(tert-butylamino)-2-oxoethyl]-N-(3-cyclopropyl-2-methyl-4-pyridinyl)-2-azaspiro[3.3]heptane-6-carboxamide (PubChem CID 169216899) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-[2-(tert-butylamino)-2-oxoethyl]-N-(3-cyclopropyl-2-methyl-4-pyridinyl)-2-azaspiro[3.3]heptane-6-carboxamide.

Molecular Properties

Compound Name2-[2-(tert-butylamino)-2-oxoethyl]-N-(3-cyclopropyl-2-methyl-4-pyridinyl)-2-azaspiro[3.3]heptane-6-carboxamide
PubChem CID169216899
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC Name2-[2-(tert-butylamino)-2-oxoethyl]-N-(3-cyclopropyl-2-methyl-4-pyridinyl)-2-azaspiro[3.3]heptane-6-carboxamide
SMILESCc1nccc(NC(=O)C2CC3(C2)CN(CC(=O)NC(C)(C)C)C3)c1C1CC1
InChIInChI=1S/C22H32N4O2/c1-14-19(15-5-6-15)17(7-8-23-14)24-20(28)16-9-22(10-16)12-26(13-22)11-18(27)25-21(2,3)4/h7-8,15-16H,5-6,9-13H2,1-4H3,(H,25,27)(H,23,24,28)
InChIKeyRSMZCNNTWOEHNQ-UHFFFAOYSA-N
XLogP2.83
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(tert-butylamino)-2-oxoethyl]-N-(3-cyclopropyl-2-methyl-4-pyridinyl)-2-azaspiro[3.3]heptane-6-carboxamide?
The IUPAC name of 2-[2-(tert-butylamino)-2-oxoethyl]-N-(3-cyclopropyl-2-methyl-4-pyridinyl)-2-azaspiro[3.3]heptane-6-carboxamide (CID 169216899) is 2-[2-(tert-butylamino)-2-oxoethyl]-N-(3-cyclopropyl-2-methyl-4-pyridinyl)-2-azaspiro[3.3]heptane-6-carboxamide.
What is the SMILES notation for 2-[2-(tert-butylamino)-2-oxoethyl]-N-(3-cyclopropyl-2-methyl-4-pyridinyl)-2-azaspiro[3.3]heptane-6-carboxamide?
The canonical SMILES for 2-[2-(tert-butylamino)-2-oxoethyl]-N-(3-cyclopropyl-2-methyl-4-pyridinyl)-2-azaspiro[3.3]heptane-6-carboxamide is Cc1nccc(NC(=O)C2CC3(C2)CN(CC(=O)NC(C)(C)C)C3)c1C1CC1.
What is the InChIKey of 2-[2-(tert-butylamino)-2-oxoethyl]-N-(3-cyclopropyl-2-methyl-4-pyridinyl)-2-azaspiro[3.3]heptane-6-carboxamide?
The InChIKey is RSMZCNNTWOEHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-14-19(15-5-6-15)17(7-8-23-14)24-20(28)16-9-22(10-16)12-26(13-22)11-18(27)25-21(2,3)4/h7-8,15-16H,5-6,9-13H2,1-4H3,(H,25,27)(H,23,24,28).
What are the key properties of 2-[2-(tert-butylamino)-2-oxoethyl]-N-(3-cyclopropyl-2-methyl-4-pyridinyl)-2-azaspiro[3.3]heptane-6-carboxamide?
2-[2-(tert-butylamino)-2-oxoethyl]-N-(3-cyclopropyl-2-methyl-4-pyridinyl)-2-azaspiro[3.3]heptane-6-carboxamide has a molecular weight of 384.52 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(tert-butylamino)-2-oxoethyl]-N-(3-cyclopropyl-2-methyl-4-pyridinyl)-2-azaspiro[3.3]heptane-6-carboxamide is sourced from PubChem (CID 169216899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).