N-[5-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-8,8-difluoro-1-oxo-2-azaspiro[4.5]decane-2-carboxamide

C24H28F2N6O4 — CID 146267952

IUPACN-[5-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-8,8-difluoro-1-oxo-2-azaspiro[4.5]decane-2-carboxamide
SMILESCc1nc(NC(=O)N2CCC3(CCC(F)(F)CC3)C2=O)ccc1Oc1ccnc(NC(=O)N(C)C)c1
InChIInChI=1S/C24H28F2N6O4/c1-15-17(36-16-6-12-27-19(14-16)30-21(34)31(2)3)4-5-18(28-15)29-22(35)32-13-11-23(20(32)33)7-9-24(25,26)10-8-23/h4-6,12,14H,7-11,13H2,1-3H3,(H,27,30,34)(H,28,29,35)
InChIKeyAQTWLPFERHGJQU-UHFFFAOYSA-N
MW502.52 g/mol
LogP4.63
Rot. Bonds4

About N-[5-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-8,8-difluoro-1-oxo-2-azaspiro[4.5]decane-2-carboxamide

N-[5-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-8,8-difluoro-1-oxo-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 146267952) has the molecular formula C24H28F2N6O4 and a molecular weight of 502.52 g/mol. Its IUPAC name is N-[5-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-8,8-difluoro-1-oxo-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-8,8-difluoro-1-oxo-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID146267952
Molecular FormulaC24H28F2N6O4
Molecular Weight502.52 g/mol
Exact Mass502.21
IUPAC NameN-[5-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-8,8-difluoro-1-oxo-2-azaspiro[4.5]decane-2-carboxamide
SMILESCc1nc(NC(=O)N2CCC3(CCC(F)(F)CC3)C2=O)ccc1Oc1ccnc(NC(=O)N(C)C)c1
InChIInChI=1S/C24H28F2N6O4/c1-15-17(36-16-6-12-27-19(14-16)30-21(34)31(2)3)4-5-18(28-15)29-22(35)32-13-11-23(20(32)33)7-9-24(25,26)10-8-23/h4-6,12,14H,7-11,13H2,1-3H3,(H,27,30,34)(H,28,29,35)
InChIKeyAQTWLPFERHGJQU-UHFFFAOYSA-N
XLogP4.63
TPSA116.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.52
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-8,8-difluoro-1-oxo-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-[5-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-8,8-difluoro-1-oxo-2-azaspiro[4.5]decane-2-carboxamide (CID 146267952) is N-[5-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-8,8-difluoro-1-oxo-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-[5-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-8,8-difluoro-1-oxo-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-[5-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-8,8-difluoro-1-oxo-2-azaspiro[4.5]decane-2-carboxamide is Cc1nc(NC(=O)N2CCC3(CCC(F)(F)CC3)C2=O)ccc1Oc1ccnc(NC(=O)N(C)C)c1.
What is the InChIKey of N-[5-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-8,8-difluoro-1-oxo-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is AQTWLPFERHGJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N6O4/c1-15-17(36-16-6-12-27-19(14-16)30-21(34)31(2)3)4-5-18(28-15)29-22(35)32-13-11-23(20(32)33)7-9-24(25,26)10-8-23/h4-6,12,14H,7-11,13H2,1-3H3,(H,27,30,34)(H,28,29,35).
What are the key properties of N-[5-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-8,8-difluoro-1-oxo-2-azaspiro[4.5]decane-2-carboxamide?
N-[5-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-8,8-difluoro-1-oxo-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 502.52 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]-6-methyl-2-pyridinyl]-8,8-difluoro-1-oxo-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 146267952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).