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

C22H25FN4O3 — CID 131655904

IUPAC8-N-[(3-fluorophenyl)methyl]-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
SMILESO=C(Nc1cccnc1)C1CCC2(CCN(C(=O)NCc3cccc(F)c3)CC2)O1
InChIInChI=1S/C22H25FN4O3/c23-17-4-1-3-16(13-17)14-25-21(29)27-11-8-22(9-12-27)7-6-19(30-22)20(28)26-18-5-2-10-24-15-18/h1-5,10,13,15,19H,6-9,11-12,14H2,(H,25,29)(H,26,28)
InChIKeyNYWVHOPNVNTROM-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.08
Rot. Bonds4

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

8-N-[(3-fluorophenyl)methyl]-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide (PubChem CID 131655904) has the molecular formula C22H25FN4O3 and a molecular weight of 412.47 g/mol. Its IUPAC name is 8-N-[(3-fluorophenyl)methyl]-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide.

Molecular Properties

Compound Name8-N-[(3-fluorophenyl)methyl]-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
PubChem CID131655904
Molecular FormulaC22H25FN4O3
Molecular Weight412.47 g/mol
Exact Mass412.19
IUPAC Name8-N-[(3-fluorophenyl)methyl]-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
SMILESO=C(Nc1cccnc1)C1CCC2(CCN(C(=O)NCc3cccc(F)c3)CC2)O1
InChIInChI=1S/C22H25FN4O3/c23-17-4-1-3-16(13-17)14-25-21(29)27-11-8-22(9-12-27)7-6-19(30-22)20(28)26-18-5-2-10-24-15-18/h1-5,10,13,15,19H,6-9,11-12,14H2,(H,25,29)(H,26,28)
InChIKeyNYWVHOPNVNTROM-UHFFFAOYSA-N
XLogP3.08
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-N-[(3-fluorophenyl)methyl]-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide;2,2,2-trifluoroacetic acid
CID 155846938
8-N-(4-fluorophenyl)-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
CID 134076517
8-N-phenyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
CID 131646713
N-pyridin-3-yl-8-(2-thiophen-3-ylacetyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 134076522
8-(2-methylbenzoyl)-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 134076520
2-N-(3-fluorophenyl)-5-N-[(3-fluorophenyl)methyl]-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 131646523
(2S,3S)-5-N-benzyl-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97492569
(2S,3R)-5-N-benzyl-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97492570
8-N-(4-fluorophenyl)-6-methyl-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide
CID 134076821
2-[6-[(3-fluorophenyl)carbamoyl]-5-oxa-2-azaspiro[3.4]octan-2-yl]acetic acid
CID 134077528
(2R)-N-(cyclopropylmethyl)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
CID 97383812
N-(3-fluorophenyl)-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
CID 1446453

Frequently Asked Questions

What is the IUPAC name of 8-N-[(3-fluorophenyl)methyl]-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide?
The IUPAC name of 8-N-[(3-fluorophenyl)methyl]-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide (CID 131655904) is 8-N-[(3-fluorophenyl)methyl]-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide.
What is the SMILES notation for 8-N-[(3-fluorophenyl)methyl]-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide?
The canonical SMILES for 8-N-[(3-fluorophenyl)methyl]-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide is O=C(Nc1cccnc1)C1CCC2(CCN(C(=O)NCc3cccc(F)c3)CC2)O1.
What is the InChIKey of 8-N-[(3-fluorophenyl)methyl]-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide?
The InChIKey is NYWVHOPNVNTROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O3/c23-17-4-1-3-16(13-17)14-25-21(29)27-11-8-22(9-12-27)7-6-19(30-22)20(28)26-18-5-2-10-24-15-18/h1-5,10,13,15,19H,6-9,11-12,14H2,(H,25,29)(H,26,28).
What are the key properties of 8-N-[(3-fluorophenyl)methyl]-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide?
8-N-[(3-fluorophenyl)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 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-[(3-fluorophenyl)methyl]-2-N-pyridin-3-yl-1-oxa-8-azaspiro[4.5]decane-2,8-dicarboxamide is sourced from PubChem (CID 131655904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).