N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide

C21H23FN4O2 — CID 126425910

IUPACN-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide
SMILESO=C1CCC2(CCN(C(=O)N[C@@H](c3ccncc3)c3ccc(F)cc3)CC2)N1
InChIInChI=1S/C21H23FN4O2/c22-17-3-1-15(2-4-17)19(16-6-11-23-12-7-16)24-20(28)26-13-9-21(10-14-26)8-5-18(27)25-21/h1-4,6-7,11-12,19H,5,8-10,13-14H2,(H,24,28)(H,25,27)/t19-/m1/s1
InChIKeyGRPFJJPMYYVUPK-LJQANCHMSA-N
MW382.44 g/mol
LogP2.76
Rot. Bonds3

About N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide

N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 126425910) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide
PubChem CID126425910
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC NameN-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide
SMILESO=C1CCC2(CCN(C(=O)N[C@@H](c3ccncc3)c3ccc(F)cc3)CC2)N1
InChIInChI=1S/C21H23FN4O2/c22-17-3-1-15(2-4-17)19(16-6-11-23-12-7-16)24-20(28)26-13-9-21(10-14-26)8-5-18(27)25-21/h1-4,6-7,11-12,19H,5,8-10,13-14H2,(H,24,28)(H,25,27)/t19-/m1/s1
InChIKeyGRPFJJPMYYVUPK-LJQANCHMSA-N
XLogP2.76
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide with MolForge

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Related Compounds

N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-4-methoxypiperidine-1-carboxamide
CID 126424698
4,4-difluoro-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]piperidine-1-carboxamide
CID 121498449
N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-3-piperidin-1-ylazetidine-1-carboxamide
CID 126441326
N-(1,2-diphenylethyl)-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 119061556
1-N'-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]cyclopropane-1,1-dicarboxamide
CID 99958111
N-[(4-methylphenyl)-pyridin-4-ylmethyl]azepane-1-carboxamide
CID 121498350
2-(azepan-1-yl)-N-[(4-fluorophenyl)-pyridin-4-ylmethyl]acetamide
CID 91773846
1-(4-fluorophenyl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]cyclopropane-1-carboxamide
CID 97140868
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-morpholin-4-ylacetamide
CID 110444227
N-[bis(4-fluorophenyl)methyl]-4-(1-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide
CID 68626796
N-[(R)-cyclopentyl-(4-fluorophenyl)methyl]-5-oxo-1,4-diazepane-1-carboxamide
CID 95598616
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-phenylacetamide
CID 110442330

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide (CID 126425910) is N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide is O=C1CCC2(CCN(C(=O)N[C@@H](c3ccncc3)c3ccc(F)cc3)CC2)N1.
What is the InChIKey of N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is GRPFJJPMYYVUPK-LJQANCHMSA-N. The full InChI is InChI=1S/C21H23FN4O2/c22-17-3-1-15(2-4-17)19(16-6-11-23-12-7-16)24-20(28)26-13-9-21(10-14-26)8-5-18(27)25-21/h1-4,6-7,11-12,19H,5,8-10,13-14H2,(H,24,28)(H,25,27)/t19-/m1/s1.
What are the key properties of N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide?
N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 382.44 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-fluorophenyl)-pyridin-4-ylmethyl]-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 126425910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).