N-[(5S,7R)-2-(2-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide

C22H24FN3O2 — CID 52912119

IUPACN-[(5S,7R)-2-(2-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)N[C@@H]2CCC[C@]3(CCN(c4ccccc4F)C3=O)C2)n1
InChIInChI=1S/C22H24FN3O2/c1-15-6-4-9-18(24-15)20(27)25-16-7-5-11-22(14-16)12-13-26(21(22)28)19-10-3-2-8-17(19)23/h2-4,6,8-10,16H,5,7,11-14H2,1H3,(H,25,27)/t16-,22+/m1/s1
InChIKeyKHZRKAHKUROPNS-ZHRRBRCNSA-N
MW381.45 g/mol
LogP3.62
Rot. Bonds3

About N-[(5S,7R)-2-(2-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide

N-[(5S,7R)-2-(2-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide (PubChem CID 52912119) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[(5S,7R)-2-(2-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(5S,7R)-2-(2-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide
PubChem CID52912119
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC NameN-[(5S,7R)-2-(2-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)N[C@@H]2CCC[C@]3(CCN(c4ccccc4F)C3=O)C2)n1
InChIInChI=1S/C22H24FN3O2/c1-15-6-4-9-18(24-15)20(27)25-16-7-5-11-22(14-16)12-13-26(21(22)28)19-10-3-2-8-17(19)23/h2-4,6,8-10,16H,5,7,11-14H2,1H3,(H,25,27)/t16-,22+/m1/s1
InChIKeyKHZRKAHKUROPNS-ZHRRBRCNSA-N
XLogP3.62
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-[(5S,7R)-2-(5-methyl-2-pyridinyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide
CID 52912074
6-methyl-N-[(5S,7R)-2-(2-methyl-4-pyridinyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide
CID 52912120
N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide
CID 75951009
6-methyl-N-[(5S,7R)-2-(5-methyl-3-pyridinyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide
CID 52911401
N-[2-(6-methyl-2-pyridinyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide
CID 75951010
N-[(5R,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-2-carboxamide
CID 58237396
N-[(5S,7S)-2-(2-methylpyrimidin-4-yl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 67108689
N-[(5S,7R)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyrazine-2-carboxamide
CID 52912123
N-[(5S,7S)-2-(3,5-difluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 67108524
6-methyl-N-(1-methylpiperidin-3-yl)pyridine-2-carboxamide
CID 47344489
2-methyl-N-[(5S,7R)-2-(2-methylpyrimidin-4-yl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide
CID 52911567
N-[(5S,7S)-2-(3-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyridine-4-carboxamide
CID 67108857

Frequently Asked Questions

What is the IUPAC name of N-[(5S,7R)-2-(2-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[(5S,7R)-2-(2-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide (CID 52912119) is N-[(5S,7R)-2-(2-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(5S,7R)-2-(2-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(5S,7R)-2-(2-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)N[C@@H]2CCC[C@]3(CCN(c4ccccc4F)C3=O)C2)n1.
What is the InChIKey of N-[(5S,7R)-2-(2-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is KHZRKAHKUROPNS-ZHRRBRCNSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-15-6-4-9-18(24-15)20(27)25-16-7-5-11-22(14-16)12-13-26(21(22)28)19-10-3-2-8-17(19)23/h2-4,6,8-10,16H,5,7,11-14H2,1H3,(H,25,27)/t16-,22+/m1/s1.
What are the key properties of N-[(5S,7R)-2-(2-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide?
N-[(5S,7R)-2-(2-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 381.45 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S,7R)-2-(2-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 52912119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).