N-[(5S,7S)-2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyrazine-2-carboxamide

C20H21ClN4O2 — CID 52911751

IUPACN-[(5S,7S)-2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@H]1CCC[C@]2(CCN(c3cccc(Cl)c3)C2=O)C1)c1cnccn1
InChIInChI=1S/C20H21ClN4O2/c21-14-3-1-5-16(11-14)25-10-7-20(19(25)27)6-2-4-15(12-20)24-18(26)17-13-22-8-9-23-17/h1,3,5,8-9,11,13,15H,2,4,6-7,10,12H2,(H,24,26)/t15-,20-/m0/s1
InChIKeyJXBNGZBBDNVGFI-YWZLYKJASA-N
MW384.87 g/mol
LogP3.23
Rot. Bonds3

About N-[(5S,7S)-2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyrazine-2-carboxamide

N-[(5S,7S)-2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyrazine-2-carboxamide (PubChem CID 52911751) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is N-[(5S,7S)-2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(5S,7S)-2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyrazine-2-carboxamide
PubChem CID52911751
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC NameN-[(5S,7S)-2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@H]1CCC[C@]2(CCN(c3cccc(Cl)c3)C2=O)C1)c1cnccn1
InChIInChI=1S/C20H21ClN4O2/c21-14-3-1-5-16(11-14)25-10-7-20(19(25)27)6-2-4-15(12-20)24-18(26)17-13-22-8-9-23-17/h1,3,5,8-9,11,13,15H,2,4,6-7,10,12H2,(H,24,26)/t15-,20-/m0/s1
InChIKeyJXBNGZBBDNVGFI-YWZLYKJASA-N
XLogP3.23
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide
CID 75951009
N-[(5R,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide
CID 58237396
N-[(5S,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide
CID 67108857
6-methyl-N-[(5S,7R)-2-(2-methyl-4-pyridinyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide
CID 52912120
6-methyl-N-[(5S,7R)-2-(5-methyl-3-pyridinyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide
CID 52911401
(5R,7R)-7-acetyl-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one
CID 58237139
N-[2-(6-methyl-2-pyridinyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide
CID 75951010
(5R,7R)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one;(5S,7S)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one
CID 159763896
N-[(5S,7R)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyrazine-2-carboxamide
CID 52912123
N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 122672262
5-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide
CID 122679344
N-[(5S,9S)-7,7-difluoro-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-9-yl]pyridine-2-carboxamide
CID 67108409

Frequently Asked Questions

What is the IUPAC name of N-[(5S,7S)-2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(5S,7S)-2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyrazine-2-carboxamide (CID 52911751) is N-[(5S,7S)-2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(5S,7S)-2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(5S,7S)-2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyrazine-2-carboxamide is O=C(N[C@H]1CCC[C@]2(CCN(c3cccc(Cl)c3)C2=O)C1)c1cnccn1.
What is the InChIKey of N-[(5S,7S)-2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyrazine-2-carboxamide?
The InChIKey is JXBNGZBBDNVGFI-YWZLYKJASA-N. The full InChI is InChI=1S/C20H21ClN4O2/c21-14-3-1-5-16(11-14)25-10-7-20(19(25)27)6-2-4-15(12-20)24-18(26)17-13-22-8-9-23-17/h1,3,5,8-9,11,13,15H,2,4,6-7,10,12H2,(H,24,26)/t15-,20-/m0/s1.
What are the key properties of N-[(5S,7S)-2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyrazine-2-carboxamide?
N-[(5S,7S)-2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyrazine-2-carboxamide has a molecular weight of 384.87 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S,7S)-2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 52911751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).