8-N-(4-fluorophenyl)-6-methyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide

C22H25FN4O3 — CID 134076821

IUPAC8-N-(4-fluorophenyl)-6-methyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
SMILESCC1CN(C(=O)Nc2ccc(F)cc2)CCC12CCC(C(=O)Nc1cccnc1)O2
InChIInChI=1S/C22H25FN4O3/c1-15-14-27(21(29)26-17-6-4-16(23)5-7-17)12-10-22(15)9-8-19(30-22)20(28)25-18-3-2-11-24-13-18/h2-7,11,13,15,19H,8-10,12,14H2,1H3,(H,25,28)(H,26,29)
InChIKeyIWJZEBJOEJDGLS-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.65
Rot. Bonds3

About 8-N-(4-fluorophenyl)-6-methyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide

8-N-(4-fluorophenyl)-6-methyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide (PubChem CID 134076821) has the molecular formula C22H25FN4O3 and a molecular weight of 412.47 g/mol. Its IUPAC name is 8-N-(4-fluorophenyl)-6-methyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide.

Molecular Properties

Compound Name8-N-(4-fluorophenyl)-6-methyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
PubChem CID134076821
Molecular FormulaC22H25FN4O3
Molecular Weight412.47 g/mol
Exact Mass412.19
IUPAC Name8-N-(4-fluorophenyl)-6-methyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
SMILESCC1CN(C(=O)Nc2ccc(F)cc2)CCC12CCC(C(=O)Nc1cccnc1)O2
InChIInChI=1S/C22H25FN4O3/c1-15-14-27(21(29)26-17-6-4-16(23)5-7-17)12-10-22(15)9-8-19(30-22)20(28)25-18-3-2-11-24-13-18/h2-7,11,13,15,19H,8-10,12,14H2,1H3,(H,25,28)(H,26,29)
InChIKeyIWJZEBJOEJDGLS-UHFFFAOYSA-N
XLogP3.65
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-N-(4-fluorophenyl)-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
CID 134076517
6-methyl-N-pyridin-3-yl-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 134076540
(2R,5R,6R)-8-(3,4-dimethylbenzoyl)-6-methyl-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 124522468
(2S,5S,6R)-6-methyl-8-(2-phenoxyacetyl)-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 124913655
(2S,5R,6R)-6-methyl-N-pyridin-3-yl-8-(thiophene-3-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 124913520
6-methyl-N-pyridin-3-yl-8-[(E)-3-thiophen-2-ylprop-2-enoyl]-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 155878538
8-N-phenyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
CID 131646713
(2S,3S)-5-N-(4-fluorophenyl)-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97492534
5-N-(4-fluorophenyl)-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 131646111
(2S,5R,6S)-6-methyl-8-(4-methylphenyl)sulfonyl-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 98780731
2-N-(cyclopropylmethyl)-6-methyl-8-N-(4-methylphenyl)-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
CID 131653413
8-N-[(3-fluorophenyl)methyl]-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
CID 131655904

Frequently Asked Questions

What is the IUPAC name of 8-N-(4-fluorophenyl)-6-methyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide?
The IUPAC name of 8-N-(4-fluorophenyl)-6-methyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide (CID 134076821) is 8-N-(4-fluorophenyl)-6-methyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide.
What is the SMILES notation for 8-N-(4-fluorophenyl)-6-methyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide?
The canonical SMILES for 8-N-(4-fluorophenyl)-6-methyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide is CC1CN(C(=O)Nc2ccc(F)cc2)CCC12CCC(C(=O)Nc1cccnc1)O2.
What is the InChIKey of 8-N-(4-fluorophenyl)-6-methyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide?
The InChIKey is IWJZEBJOEJDGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O3/c1-15-14-27(21(29)26-17-6-4-16(23)5-7-17)12-10-22(15)9-8-19(30-22)20(28)25-18-3-2-11-24-13-18/h2-7,11,13,15,19H,8-10,12,14H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 8-N-(4-fluorophenyl)-6-methyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide?
8-N-(4-fluorophenyl)-6-methyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide has a molecular weight of 412.47 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(4-fluorophenyl)-6-methyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide is sourced from PubChem (CID 134076821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).