N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-3-oxo-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide

C22H25FN4O2 — CID 59688489

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-3-oxo-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESC[C@H](NC(=O)N1CCC2(CC1)C(=O)N(C)C2c1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C22H25FN4O2/c1-15(16-6-8-17(23)9-7-16)25-21(29)27-13-10-22(11-14-27)19(26(2)20(22)28)18-5-3-4-12-24-18/h3-9,12,15,19H,10-11,13-14H2,1-2H3,(H,25,29)/t15-,19?/m0/s1
InChIKeyRXUFMKWGWYLMMR-FUKCDUGKSA-N
MW396.47 g/mol
LogP3.29
Rot. Bonds3

About N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-3-oxo-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide

N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-3-oxo-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 59688489) has the molecular formula C22H25FN4O2 and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-3-oxo-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-3-oxo-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
PubChem CID59688489
Molecular FormulaC22H25FN4O2
Molecular Weight396.47 g/mol
Exact Mass396.20
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-3-oxo-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide
SMILESC[C@H](NC(=O)N1CCC2(CC1)C(=O)N(C)C2c1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C22H25FN4O2/c1-15(16-6-8-17(23)9-7-16)25-21(29)27-13-10-22(11-14-27)19(26(2)20(22)28)18-5-3-4-12-24-18/h3-9,12,15,19H,10-11,13-14H2,1-2H3,(H,25,29)/t15-,19?/m0/s1
InChIKeyRXUFMKWGWYLMMR-FUKCDUGKSA-N
XLogP3.29
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-3-oxo-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-3-oxo-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide (CID 59688489) is N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-3-oxo-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-3-oxo-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-3-oxo-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide is C[C@H](NC(=O)N1CCC2(CC1)C(=O)N(C)C2c1ccccn1)c1ccc(F)cc1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-3-oxo-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
The InChIKey is RXUFMKWGWYLMMR-FUKCDUGKSA-N. The full InChI is InChI=1S/C22H25FN4O2/c1-15(16-6-8-17(23)9-7-16)25-21(29)27-13-10-22(11-14-27)19(26(2)20(22)28)18-5-3-4-12-24-18/h3-9,12,15,19H,10-11,13-14H2,1-2H3,(H,25,29)/t15-,19?/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-3-oxo-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide?
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-3-oxo-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-3-oxo-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 59688489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).