2-(cyclopropanecarbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;formic acid

C19H25N3O5 — CID 155873009

IUPAC2-(cyclopropanecarbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;formic acid
SMILESO=C(Nc1cccnc1)C1CN(C(=O)C2CC2)CC12CCOCC2.O=CO
InChIInChI=1S/C18H23N3O3.CH2O2/c22-16(20-14-2-1-7-19-10-14)15-11-21(17(23)13-3-4-13)12-18(15)5-8-24-9-6-18;2-1-3/h1-2,7,10,13,15H,3-6,8-9,11-12H2,(H,20,22);1H,(H,2,3)
InChIKeyQDFACFSOUCSWGH-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.39
Rot. Bonds3

About 2-(cyclopropanecarbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;formic acid

2-(cyclopropanecarbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;formic acid (PubChem CID 155873009) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-(cyclopropanecarbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;formic acid.

Molecular Properties

Compound Name2-(cyclopropanecarbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;formic acid
PubChem CID155873009
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name2-(cyclopropanecarbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;formic acid
SMILESO=C(Nc1cccnc1)C1CN(C(=O)C2CC2)CC12CCOCC2.O=CO
InChIInChI=1S/C18H23N3O3.CH2O2/c22-16(20-14-2-1-7-19-10-14)15-11-21(17(23)13-3-4-13)12-18(15)5-8-24-9-6-18;2-1-3/h1-2,7,10,13,15H,3-6,8-9,11-12H2,(H,20,22);1H,(H,2,3)
InChIKeyQDFACFSOUCSWGH-UHFFFAOYSA-N
XLogP1.39
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(6-methylpyridine-3-carbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 155872032
2-N-(4-ethylphenyl)-4-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide;2,2,2-trifluoroacetic acid
CID 155838813
(4S)-N-phenyl-2-(pyridin-3-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 97375429
2-[2-(4-methylphenyl)acetyl]-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155838857
N-pyridin-3-yl-2-(2-thiophen-2-ylacetyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155868815
(2R,3S)-5-(2-cyclopropylacetyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492595
N-phenyl-2-(pyridin-3-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155831816
(2R,3S)-5-N,5-N-dimethyl-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97396660
5-N-(4-fluorophenyl)-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 131646111
(2S,3S)-5-N-(4-fluorophenyl)-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97492534
(2S,3R)-5-(4-chlorobenzoyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492548
2-[4-(oxane-4-carbonyl)piperazin-1-yl]-N-pyridin-3-ylacetamide
CID 74244540

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;formic acid?
The IUPAC name of 2-(cyclopropanecarbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;formic acid (CID 155873009) is 2-(cyclopropanecarbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;formic acid.
What is the SMILES notation for 2-(cyclopropanecarbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;formic acid?
The canonical SMILES for 2-(cyclopropanecarbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;formic acid is O=C(Nc1cccnc1)C1CN(C(=O)C2CC2)CC12CCOCC2.O=CO.
What is the InChIKey of 2-(cyclopropanecarbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;formic acid?
The InChIKey is QDFACFSOUCSWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3.CH2O2/c22-16(20-14-2-1-7-19-10-14)15-11-21(17(23)13-3-4-13)12-18(15)5-8-24-9-6-18;2-1-3/h1-2,7,10,13,15H,3-6,8-9,11-12H2,(H,20,22);1H,(H,2,3).
What are the key properties of 2-(cyclopropanecarbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;formic acid?
2-(cyclopropanecarbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;formic acid has a molecular weight of 375.43 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;formic acid is sourced from PubChem (CID 155873009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).