propan-2-yl 2-[3-[[6-(cyclopropylcarbamoyl)-3-pyridinyl]oxy]propyl]-7-azaspiro[3.5]nonane-7-carboxylate

C24H35N3O4 — CID 71135993

IUPACpropan-2-yl 2-[3-[[6-(cyclopropylcarbamoyl)-3-pyridinyl]oxy]propyl]-7-azaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)OC(=O)N1CCC2(CC1)CC(CCCOc1ccc(C(=O)NC3CC3)nc1)C2
InChIInChI=1S/C24H35N3O4/c1-17(2)31-23(29)27-11-9-24(10-12-27)14-18(15-24)4-3-13-30-20-7-8-21(25-16-20)22(28)26-19-5-6-19/h7-8,16-19H,3-6,9-15H2,1-2H3,(H,26,28)
InChIKeyDEDOMQJVTCLAJK-UHFFFAOYSA-N
MW429.56 g/mol
LogP4.17
Rot. Bonds8

About propan-2-yl 2-[3-[[6-(cyclopropylcarbamoyl)-3-pyridinyl]oxy]propyl]-7-azaspiro[3.5]nonane-7-carboxylate

propan-2-yl 2-[3-[[6-(cyclopropylcarbamoyl)-3-pyridinyl]oxy]propyl]-7-azaspiro[3.5]nonane-7-carboxylate (PubChem CID 71135993) has the molecular formula C24H35N3O4 and a molecular weight of 429.56 g/mol. Its IUPAC name is propan-2-yl 2-[3-[[6-(cyclopropylcarbamoyl)-3-pyridinyl]oxy]propyl]-7-azaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-[3-[[6-(cyclopropylcarbamoyl)-3-pyridinyl]oxy]propyl]-7-azaspiro[3.5]nonane-7-carboxylate
PubChem CID71135993
Molecular FormulaC24H35N3O4
Molecular Weight429.56 g/mol
Exact Mass429.26
IUPAC Namepropan-2-yl 2-[3-[[6-(cyclopropylcarbamoyl)-3-pyridinyl]oxy]propyl]-7-azaspiro[3.5]nonane-7-carboxylate
SMILESCC(C)OC(=O)N1CCC2(CC1)CC(CCCOc1ccc(C(=O)NC3CC3)nc1)C2
InChIInChI=1S/C24H35N3O4/c1-17(2)31-23(29)27-11-9-24(10-12-27)14-18(15-24)4-3-13-30-20-7-8-21(25-16-20)22(28)26-19-5-6-19/h7-8,16-19H,3-6,9-15H2,1-2H3,(H,26,28)
InChIKeyDEDOMQJVTCLAJK-UHFFFAOYSA-N
XLogP4.17
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[3-[[6-(cyclopropylcarbamoyl)-3-pyridinyl]oxy]propyl]-7-azaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of propan-2-yl 2-[3-[[6-(cyclopropylcarbamoyl)-3-pyridinyl]oxy]propyl]-7-azaspiro[3.5]nonane-7-carboxylate (CID 71135993) is propan-2-yl 2-[3-[[6-(cyclopropylcarbamoyl)-3-pyridinyl]oxy]propyl]-7-azaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for propan-2-yl 2-[3-[[6-(cyclopropylcarbamoyl)-3-pyridinyl]oxy]propyl]-7-azaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for propan-2-yl 2-[3-[[6-(cyclopropylcarbamoyl)-3-pyridinyl]oxy]propyl]-7-azaspiro[3.5]nonane-7-carboxylate is CC(C)OC(=O)N1CCC2(CC1)CC(CCCOc1ccc(C(=O)NC3CC3)nc1)C2.
What is the InChIKey of propan-2-yl 2-[3-[[6-(cyclopropylcarbamoyl)-3-pyridinyl]oxy]propyl]-7-azaspiro[3.5]nonane-7-carboxylate?
The InChIKey is DEDOMQJVTCLAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O4/c1-17(2)31-23(29)27-11-9-24(10-12-27)14-18(15-24)4-3-13-30-20-7-8-21(25-16-20)22(28)26-19-5-6-19/h7-8,16-19H,3-6,9-15H2,1-2H3,(H,26,28).
What are the key properties of propan-2-yl 2-[3-[[6-(cyclopropylcarbamoyl)-3-pyridinyl]oxy]propyl]-7-azaspiro[3.5]nonane-7-carboxylate?
propan-2-yl 2-[3-[[6-(cyclopropylcarbamoyl)-3-pyridinyl]oxy]propyl]-7-azaspiro[3.5]nonane-7-carboxylate has a molecular weight of 429.56 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[3-[[6-(cyclopropylcarbamoyl)-3-pyridinyl]oxy]propyl]-7-azaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 71135993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).