2-(6-methylpyridine-3-carbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C21H24N4O3 — CID 155872032

IUPAC2-(6-methylpyridine-3-carbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCc1ccc(C(=O)N2CC(C(=O)Nc3cccnc3)C3(CCOCC3)C2)cn1
InChIInChI=1S/C21H24N4O3/c1-15-4-5-16(11-23-15)20(27)25-13-18(21(14-25)6-9-28-10-7-21)19(26)24-17-3-2-8-22-12-17/h2-5,8,11-12,18H,6-7,9-10,13-14H2,1H3,(H,24,26)
InChIKeyZREYUTMZEJJXCL-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.29
Rot. Bonds3

About 2-(6-methylpyridine-3-carbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

2-(6-methylpyridine-3-carbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 155872032) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-(6-methylpyridine-3-carbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name2-(6-methylpyridine-3-carbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID155872032
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name2-(6-methylpyridine-3-carbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCc1ccc(C(=O)N2CC(C(=O)Nc3cccnc3)C3(CCOCC3)C2)cn1
InChIInChI=1S/C21H24N4O3/c1-15-4-5-16(11-23-15)20(27)25-13-18(21(14-25)6-9-28-10-7-21)19(26)24-17-3-2-8-22-12-17/h2-5,8,11-12,18H,6-7,9-10,13-14H2,1H3,(H,24,26)
InChIKeyZREYUTMZEJJXCL-UHFFFAOYSA-N
XLogP2.29
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropanecarbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;formic acid
CID 155873009
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
(4S)-N-(3-fluorophenyl)-2-(4-methylbenzoyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 97399848
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
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
(2S,3R)-5-(4-chlorobenzoyl)-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2-carboxamide
CID 97492548
(4S)-N-phenyl-2-(pyridin-3-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 97375429
(3aR,8aR)-1-methyl-6-(6-methylpyridine-3-carbonyl)-N-pyridin-3-yl-3,4,5,7,8,8a-hexahydro-2H-pyrrolo[2,3-d]azepine-3a-carboxamide
CID 155873475
(2R,3S)-5-N,5-N-dimethyl-2-N-pyridin-3-yl-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97396660
2-(2-methylpyrazole-3-carbonyl)-N-pyridin-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912584
N-phenyl-2-(pyridin-3-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155831816
formic acid;9-(6-methylpyridine-3-carbonyl)-N-pyridin-3-yl-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 155872974

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylpyridine-3-carbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of 2-(6-methylpyridine-3-carbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 155872032) is 2-(6-methylpyridine-3-carbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for 2-(6-methylpyridine-3-carbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for 2-(6-methylpyridine-3-carbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is Cc1ccc(C(=O)N2CC(C(=O)Nc3cccnc3)C3(CCOCC3)C2)cn1.
What is the InChIKey of 2-(6-methylpyridine-3-carbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is ZREYUTMZEJJXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-15-4-5-16(11-23-15)20(27)25-13-18(21(14-25)6-9-28-10-7-21)19(26)24-17-3-2-8-22-12-17/h2-5,8,11-12,18H,6-7,9-10,13-14H2,1H3,(H,24,26).
What are the key properties of 2-(6-methylpyridine-3-carbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
2-(6-methylpyridine-3-carbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylpyridine-3-carbonyl)-N-pyridin-3-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 155872032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).