(2R)-6-[4-(5-methylfuran-2-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide

C27H29N3O3 — CID 125158207

IUPAC(2R)-6-[4-(5-methylfuran-2-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)N3CCC4(CC3)C[C@H]4C(=O)NCCc3ccccn3)cc2)o1
InChIInChI=1S/C27H29N3O3/c1-19-5-10-24(33-19)20-6-8-21(9-7-20)26(32)30-16-12-27(13-17-30)18-23(27)25(31)29-15-11-22-4-2-3-14-28-22/h2-10,14,23H,11-13,15-18H2,1H3,(H,29,31)/t23-/m0/s1
InChIKeyVVQSUDMFVKSASI-QHCPKHFHSA-N
MW443.55 g/mol
LogP4.25
Rot. Bonds6

About (2R)-6-[4-(5-methylfuran-2-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide

(2R)-6-[4-(5-methylfuran-2-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 125158207) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is (2R)-6-[4-(5-methylfuran-2-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2R)-6-[4-(5-methylfuran-2-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID125158207
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC Name(2R)-6-[4-(5-methylfuran-2-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)N3CCC4(CC3)C[C@H]4C(=O)NCCc3ccccn3)cc2)o1
InChIInChI=1S/C27H29N3O3/c1-19-5-10-24(33-19)20-6-8-21(9-7-20)26(32)30-16-12-27(13-17-30)18-23(27)25(31)29-15-11-22-4-2-3-14-28-22/h2-10,14,23H,11-13,15-18H2,1H3,(H,29,31)/t23-/m0/s1
InChIKeyVVQSUDMFVKSASI-QHCPKHFHSA-N
XLogP4.25
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-6-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42485071
6-(2-chlorobenzoyl)-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45165512
6-[3-(furan-2-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45209178
(2R)-6-[3-(2-chlorophenyl)propanoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42484153
(2S)-6-[1-(4-chlorophenyl)cyclopropanecarbonyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42471005
6-[[4-(dimethylamino)phenyl]methyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126463050
6-[3-(3-fluorophenyl)prop-2-enoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 171134516
(2R)-6-[(1,3-diphenylpyrazol-4-yl)methyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 26353127
6-(cyclohex-3-en-1-ylmethyl)-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126465422
1-(4-bromobenzoyl)-N-(2-pyridin-2-ylethyl)piperidine-4-carboxamide
CID 29352994
(2R)-6-[4-(4-fluorophenyl)benzoyl]-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 26282918
(2S)-6-(2,5-dimethylpyrazole-3-carbonyl)-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42318265

Frequently Asked Questions

What is the IUPAC name of (2R)-6-[4-(5-methylfuran-2-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2R)-6-[4-(5-methylfuran-2-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 125158207) is (2R)-6-[4-(5-methylfuran-2-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2R)-6-[4-(5-methylfuran-2-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2R)-6-[4-(5-methylfuran-2-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide is Cc1ccc(-c2ccc(C(=O)N3CCC4(CC3)C[C@H]4C(=O)NCCc3ccccn3)cc2)o1.
What is the InChIKey of (2R)-6-[4-(5-methylfuran-2-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is VVQSUDMFVKSASI-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-19-5-10-24(33-19)20-6-8-21(9-7-20)26(32)30-16-12-27(13-17-30)18-23(27)25(31)29-15-11-22-4-2-3-14-28-22/h2-10,14,23H,11-13,15-18H2,1H3,(H,29,31)/t23-/m0/s1.
What are the key properties of (2R)-6-[4-(5-methylfuran-2-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide?
(2R)-6-[4-(5-methylfuran-2-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-[4-(5-methylfuran-2-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 125158207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).