(5S)-N-(2-chlorophenyl)-6-oxo-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decane-2-carboxamide

C21H23ClN4O2 — CID 95713838

IUPAC(5S)-N-(2-chlorophenyl)-6-oxo-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decane-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CC[C@@]2(CCCN(Cc3cccnc3)C2=O)C1
InChIInChI=1S/C21H23ClN4O2/c22-17-6-1-2-7-18(17)24-20(28)26-12-9-21(15-26)8-4-11-25(19(21)27)14-16-5-3-10-23-13-16/h1-3,5-7,10,13H,4,8-9,11-12,14-15H2,(H,24,28)/t21-/m0/s1
InChIKeyFSUMAKXYDJVGER-NRFANRHFSA-N
MW398.89 g/mol
LogP3.78
Rot. Bonds3

About (5S)-N-(2-chlorophenyl)-6-oxo-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decane-2-carboxamide

(5S)-N-(2-chlorophenyl)-6-oxo-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 95713838) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is (5S)-N-(2-chlorophenyl)-6-oxo-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name(5S)-N-(2-chlorophenyl)-6-oxo-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decane-2-carboxamide
PubChem CID95713838
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC Name(5S)-N-(2-chlorophenyl)-6-oxo-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decane-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CC[C@@]2(CCCN(Cc3cccnc3)C2=O)C1
InChIInChI=1S/C21H23ClN4O2/c22-17-6-1-2-7-18(17)24-20(28)26-12-9-21(15-26)8-4-11-25(19(21)27)14-16-5-3-10-23-13-16/h1-3,5-7,10,13H,4,8-9,11-12,14-15H2,(H,24,28)/t21-/m0/s1
InChIKeyFSUMAKXYDJVGER-NRFANRHFSA-N
XLogP3.78
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-(2-chlorophenyl)-6-oxo-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of (5S)-N-(2-chlorophenyl)-6-oxo-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decane-2-carboxamide (CID 95713838) is (5S)-N-(2-chlorophenyl)-6-oxo-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for (5S)-N-(2-chlorophenyl)-6-oxo-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for (5S)-N-(2-chlorophenyl)-6-oxo-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decane-2-carboxamide is O=C(Nc1ccccc1Cl)N1CC[C@@]2(CCCN(Cc3cccnc3)C2=O)C1.
What is the InChIKey of (5S)-N-(2-chlorophenyl)-6-oxo-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is FSUMAKXYDJVGER-NRFANRHFSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c22-17-6-1-2-7-18(17)24-20(28)26-12-9-21(15-26)8-4-11-25(19(21)27)14-16-5-3-10-23-13-16/h1-3,5-7,10,13H,4,8-9,11-12,14-15H2,(H,24,28)/t21-/m0/s1.
What are the key properties of (5S)-N-(2-chlorophenyl)-6-oxo-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decane-2-carboxamide?
(5S)-N-(2-chlorophenyl)-6-oxo-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 398.89 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-(2-chlorophenyl)-6-oxo-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 95713838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).