N-[3-methyl-2-(2-methylpyrazol-3-yl)butyl]-2-azaspiro[4.4]nonane-2-carboxamide

C18H30N4O — CID 119045435

IUPACN-[3-methyl-2-(2-methylpyrazol-3-yl)butyl]-2-azaspiro[4.4]nonane-2-carboxamide
SMILESCC(C)C(CNC(=O)N1CCC2(CCCC2)C1)c1ccnn1C
InChIInChI=1S/C18H30N4O/c1-14(2)15(16-6-10-20-21(16)3)12-19-17(23)22-11-9-18(13-22)7-4-5-8-18/h6,10,14-15H,4-5,7-9,11-13H2,1-3H3,(H,19,23)
InChIKeyMONWJUWNUHEPDO-UHFFFAOYSA-N
MW318.47 g/mol
LogP3.14
Rot. Bonds4

About N-[3-methyl-2-(2-methylpyrazol-3-yl)butyl]-2-azaspiro[4.4]nonane-2-carboxamide

N-[3-methyl-2-(2-methylpyrazol-3-yl)butyl]-2-azaspiro[4.4]nonane-2-carboxamide (PubChem CID 119045435) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is N-[3-methyl-2-(2-methylpyrazol-3-yl)butyl]-2-azaspiro[4.4]nonane-2-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-2-(2-methylpyrazol-3-yl)butyl]-2-azaspiro[4.4]nonane-2-carboxamide
PubChem CID119045435
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC NameN-[3-methyl-2-(2-methylpyrazol-3-yl)butyl]-2-azaspiro[4.4]nonane-2-carboxamide
SMILESCC(C)C(CNC(=O)N1CCC2(CCCC2)C1)c1ccnn1C
InChIInChI=1S/C18H30N4O/c1-14(2)15(16-6-10-20-21(16)3)12-19-17(23)22-11-9-18(13-22)7-4-5-8-18/h6,10,14-15H,4-5,7-9,11-13H2,1-3H3,(H,19,23)
InChIKeyMONWJUWNUHEPDO-UHFFFAOYSA-N
XLogP3.14
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2-(2-methylpyrazol-3-yl)butyl]-2-azaspiro[4.4]nonane-2-carboxamide?
The IUPAC name of N-[3-methyl-2-(2-methylpyrazol-3-yl)butyl]-2-azaspiro[4.4]nonane-2-carboxamide (CID 119045435) is N-[3-methyl-2-(2-methylpyrazol-3-yl)butyl]-2-azaspiro[4.4]nonane-2-carboxamide.
What is the SMILES notation for N-[3-methyl-2-(2-methylpyrazol-3-yl)butyl]-2-azaspiro[4.4]nonane-2-carboxamide?
The canonical SMILES for N-[3-methyl-2-(2-methylpyrazol-3-yl)butyl]-2-azaspiro[4.4]nonane-2-carboxamide is CC(C)C(CNC(=O)N1CCC2(CCCC2)C1)c1ccnn1C.
What is the InChIKey of N-[3-methyl-2-(2-methylpyrazol-3-yl)butyl]-2-azaspiro[4.4]nonane-2-carboxamide?
The InChIKey is MONWJUWNUHEPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-14(2)15(16-6-10-20-21(16)3)12-19-17(23)22-11-9-18(13-22)7-4-5-8-18/h6,10,14-15H,4-5,7-9,11-13H2,1-3H3,(H,19,23).
What are the key properties of N-[3-methyl-2-(2-methylpyrazol-3-yl)butyl]-2-azaspiro[4.4]nonane-2-carboxamide?
N-[3-methyl-2-(2-methylpyrazol-3-yl)butyl]-2-azaspiro[4.4]nonane-2-carboxamide has a molecular weight of 318.47 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2-(2-methylpyrazol-3-yl)butyl]-2-azaspiro[4.4]nonane-2-carboxamide is sourced from PubChem (CID 119045435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).