(2R)-6-(9-methylcarbazole-3-carbonyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide

C30H32N4O2 — CID 42166274

IUPAC(2R)-6-(9-methylcarbazole-3-carbonyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCn1c2ccccc2c2cc(C(=O)N3CCC4(CC3)C[C@H]4C(=O)NCCCc3ccncc3)ccc21
InChIInChI=1S/C30H32N4O2/c1-33-26-7-3-2-6-23(26)24-19-22(8-9-27(24)33)29(36)34-17-12-30(13-18-34)20-25(30)28(35)32-14-4-5-21-10-15-31-16-11-21/h2-3,6-11,15-16,19,25H,4-5,12-14,17-18,20H2,1H3,(H,32,35)/t25-/m0/s1
InChIKeyCCOTVWMNHVWBDA-VWLOTQADSA-N
MW480.61 g/mol
LogP4.72
Rot. Bonds6

About (2R)-6-(9-methylcarbazole-3-carbonyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide

(2R)-6-(9-methylcarbazole-3-carbonyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 42166274) has the molecular formula C30H32N4O2 and a molecular weight of 480.61 g/mol. Its IUPAC name is (2R)-6-(9-methylcarbazole-3-carbonyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2R)-6-(9-methylcarbazole-3-carbonyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID42166274
Molecular FormulaC30H32N4O2
Molecular Weight480.61 g/mol
Exact Mass480.25
IUPAC Name(2R)-6-(9-methylcarbazole-3-carbonyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESCn1c2ccccc2c2cc(C(=O)N3CCC4(CC3)C[C@H]4C(=O)NCCCc3ccncc3)ccc21
InChIInChI=1S/C30H32N4O2/c1-33-26-7-3-2-6-23(26)24-19-22(8-9-27(24)33)29(36)34-17-12-30(13-18-34)20-25(30)28(35)32-14-4-5-21-10-15-31-16-11-21/h2-3,6-11,15-16,19,25H,4-5,12-14,17-18,20H2,1H3,(H,32,35)/t25-/m0/s1
InChIKeyCCOTVWMNHVWBDA-VWLOTQADSA-N
XLogP4.72
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-6-[4-(4-fluorophenyl)benzoyl]-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 26282918
(2R)-6-(4-pyrazol-1-ylbenzoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42480930
6-(3-prop-2-enoxybenzoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45182350
(2S)-6-(2,5-dimethylpyrazole-3-carbonyl)-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42318265
6-(1-phenylcyclohexanecarbonyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45214381
6-(2,3-dihydro-1H-inden-2-yl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126463337
(2R)-6-(3-phenoxypropanoyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42272774
(2S)-N-(3-pyridin-4-ylpropyl)-6-[(E)-3-thiophen-2-ylprop-2-enoyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 42429855
N-(3-pyridin-4-ylpropyl)-6-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126465408
6-[[4-(2-methylphenyl)phenyl]methyl]-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45199739
(2S)-6-[5-(methoxymethyl)furan-2-carbonyl]-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42382729
5-(4-chlorobenzoyl)-N-(pyridin-4-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131638456

Frequently Asked Questions

What is the IUPAC name of (2R)-6-(9-methylcarbazole-3-carbonyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2R)-6-(9-methylcarbazole-3-carbonyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 42166274) is (2R)-6-(9-methylcarbazole-3-carbonyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2R)-6-(9-methylcarbazole-3-carbonyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2R)-6-(9-methylcarbazole-3-carbonyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide is Cn1c2ccccc2c2cc(C(=O)N3CCC4(CC3)C[C@H]4C(=O)NCCCc3ccncc3)ccc21.
What is the InChIKey of (2R)-6-(9-methylcarbazole-3-carbonyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is CCOTVWMNHVWBDA-VWLOTQADSA-N. The full InChI is InChI=1S/C30H32N4O2/c1-33-26-7-3-2-6-23(26)24-19-22(8-9-27(24)33)29(36)34-17-12-30(13-18-34)20-25(30)28(35)32-14-4-5-21-10-15-31-16-11-21/h2-3,6-11,15-16,19,25H,4-5,12-14,17-18,20H2,1H3,(H,32,35)/t25-/m0/s1.
What are the key properties of (2R)-6-(9-methylcarbazole-3-carbonyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide?
(2R)-6-(9-methylcarbazole-3-carbonyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 480.61 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-(9-methylcarbazole-3-carbonyl)-N-(3-pyridin-4-ylpropyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 42166274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).