8-[5-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]-2-pyridinyl]-N-ethyl-2,8-diazaspiro[4.5]decane-2-carboxamide

C27H32N6O2S — CID 24744797

IUPAC8-[5-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]-2-pyridinyl]-N-ethyl-2,8-diazaspiro[4.5]decane-2-carboxamide
SMILESCCNC(=O)N1CCC2(CCN(c3ccc(C(=O)Nc4cc(-c5cccs5)ccc4N)cn3)CC2)C1
InChIInChI=1S/C27H32N6O2S/c1-2-29-26(35)33-14-11-27(18-33)9-12-32(13-10-27)24-8-6-20(17-30-24)25(34)31-22-16-19(5-7-21(22)28)23-4-3-15-36-23/h3-8,15-17H,2,9-14,18,28H2,1H3,(H,29,35)(H,31,34)
InChIKeyUZFJLATVXCCZGS-UHFFFAOYSA-N
MW504.66 g/mol
LogP4.67
Rot. Bonds5

About 8-[5-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]-2-pyridinyl]-N-ethyl-2,8-diazaspiro[4.5]decane-2-carboxamide

8-[5-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]-2-pyridinyl]-N-ethyl-2,8-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 24744797) has the molecular formula C27H32N6O2S and a molecular weight of 504.66 g/mol. Its IUPAC name is 8-[5-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]-2-pyridinyl]-N-ethyl-2,8-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name8-[5-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]-2-pyridinyl]-N-ethyl-2,8-diazaspiro[4.5]decane-2-carboxamide
PubChem CID24744797
Molecular FormulaC27H32N6O2S
Molecular Weight504.66 g/mol
Exact Mass504.23
IUPAC Name8-[5-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]-2-pyridinyl]-N-ethyl-2,8-diazaspiro[4.5]decane-2-carboxamide
SMILESCCNC(=O)N1CCC2(CCN(c3ccc(C(=O)Nc4cc(-c5cccs5)ccc4N)cn3)CC2)C1
InChIInChI=1S/C27H32N6O2S/c1-2-29-26(35)33-14-11-27(18-33)9-12-32(13-10-27)24-8-6-20(17-30-24)25(34)31-22-16-19(5-7-21(22)28)23-4-3-15-36-23/h3-8,15-17H,2,9-14,18,28H2,1H3,(H,29,35)(H,31,34)
InChIKeyUZFJLATVXCCZGS-UHFFFAOYSA-N
XLogP4.67
TPSA103.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.66
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[5-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]-2-pyridinyl]-N-ethyl-2,8-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of 8-[5-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]-2-pyridinyl]-N-ethyl-2,8-diazaspiro[4.5]decane-2-carboxamide (CID 24744797) is 8-[5-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]-2-pyridinyl]-N-ethyl-2,8-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for 8-[5-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]-2-pyridinyl]-N-ethyl-2,8-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for 8-[5-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]-2-pyridinyl]-N-ethyl-2,8-diazaspiro[4.5]decane-2-carboxamide is CCNC(=O)N1CCC2(CCN(c3ccc(C(=O)Nc4cc(-c5cccs5)ccc4N)cn3)CC2)C1.
What is the InChIKey of 8-[5-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]-2-pyridinyl]-N-ethyl-2,8-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is UZFJLATVXCCZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O2S/c1-2-29-26(35)33-14-11-27(18-33)9-12-32(13-10-27)24-8-6-20(17-30-24)25(34)31-22-16-19(5-7-21(22)28)23-4-3-15-36-23/h3-8,15-17H,2,9-14,18,28H2,1H3,(H,29,35)(H,31,34).
What are the key properties of 8-[5-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]-2-pyridinyl]-N-ethyl-2,8-diazaspiro[4.5]decane-2-carboxamide?
8-[5-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]-2-pyridinyl]-N-ethyl-2,8-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 504.66 g/mol, XLogP of 4.67, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]-2-pyridinyl]-N-ethyl-2,8-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 24744797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).