2-[(2,5-dimethylphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C24H31N3O2 — CID 91924927

IUPAC2-[(2,5-dimethylphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCc1ccc(C)c(CN2CC(C(=O)NCc3ccncc3)C3(CCOCC3)C2)c1
InChIInChI=1S/C24H31N3O2/c1-18-3-4-19(2)21(13-18)15-27-16-22(24(17-27)7-11-29-12-8-24)23(28)26-14-20-5-9-25-10-6-20/h3-6,9-10,13,22H,7-8,11-12,14-17H2,1-2H3,(H,26,28)
InChIKeyLTHUNYUQTDOHSH-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.24
Rot. Bonds5

About 2-[(2,5-dimethylphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

2-[(2,5-dimethylphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 91924927) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID91924927
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name2-[(2,5-dimethylphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESCc1ccc(C)c(CN2CC(C(=O)NCc3ccncc3)C3(CCOCC3)C2)c1
InChIInChI=1S/C24H31N3O2/c1-18-3-4-19(2)21(13-18)15-27-16-22(24(17-27)7-11-29-12-8-24)23(28)26-14-20-5-9-25-10-6-20/h3-6,9-10,13,22H,7-8,11-12,14-17H2,1-2H3,(H,26,28)
InChIKeyLTHUNYUQTDOHSH-UHFFFAOYSA-N
XLogP3.24
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924949
2-[(4-ethoxyphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924948
2-[(3-methylthiophen-2-yl)methyl]-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912735
2-(2,4-difluorobenzoyl)-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924934
N-propan-2-yl-2-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155823826
2-[3-(4-methoxyphenyl)propanoyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924936
2-[2-(4-methylphenoxy)acetyl]-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912752
2-(3-fluoro-4-methylbenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924968
(2R,3R)-5-(4-methylphenyl)sulfonyl-N-(pyridin-4-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 98778370
2-(3,5-difluorobenzoyl)-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912734
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(2-morpholin-4-yl-4-pyridinyl)methyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 155875222
2-(1-methylimidazol-4-yl)sulfonyl-N-(2-pyridin-4-ylethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924963

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of 2-[(2,5-dimethylphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 91924927) is 2-[(2,5-dimethylphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is Cc1ccc(C)c(CN2CC(C(=O)NCc3ccncc3)C3(CCOCC3)C2)c1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is LTHUNYUQTDOHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-18-3-4-19(2)21(13-18)15-27-16-22(24(17-27)7-11-29-12-8-24)23(28)26-14-20-5-9-25-10-6-20/h3-6,9-10,13,22H,7-8,11-12,14-17H2,1-2H3,(H,26,28).
What are the key properties of 2-[(2,5-dimethylphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
2-[(2,5-dimethylphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)methyl]-N-(pyridin-4-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 91924927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).