N-[(4,4-difluorocyclohexyl)methyl]-1-methyl-8-[(1-methylsulfonylcyclopropyl)methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide

C22H27F2N3O5S — CID 169147664

IUPACN-[(4,4-difluorocyclohexyl)methyl]-1-methyl-8-[(1-methylsulfonylcyclopropyl)methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCC2CCC(F)(F)CC2)cc2ccnc(OCC3(S(C)(=O)=O)CC3)c21
InChIInChI=1S/C22H27F2N3O5S/c1-27-17-15(5-10-25-19(17)32-13-21(8-9-21)33(2,30)31)11-16(20(27)29)18(28)26-12-14-3-6-22(23,24)7-4-14/h5,10-11,14H,3-4,6-9,12-13H2,1-2H3,(H,26,28)
InChIKeyBGIAEPCRVQTUDF-UHFFFAOYSA-N
MW483.54 g/mol
LogP2.44
Rot. Bonds7

About N-[(4,4-difluorocyclohexyl)methyl]-1-methyl-8-[(1-methylsulfonylcyclopropyl)methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide

N-[(4,4-difluorocyclohexyl)methyl]-1-methyl-8-[(1-methylsulfonylcyclopropyl)methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide (PubChem CID 169147664) has the molecular formula C22H27F2N3O5S and a molecular weight of 483.54 g/mol. Its IUPAC name is N-[(4,4-difluorocyclohexyl)methyl]-1-methyl-8-[(1-methylsulfonylcyclopropyl)methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4,4-difluorocyclohexyl)methyl]-1-methyl-8-[(1-methylsulfonylcyclopropyl)methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide
PubChem CID169147664
Molecular FormulaC22H27F2N3O5S
Molecular Weight483.54 g/mol
Exact Mass483.16
IUPAC NameN-[(4,4-difluorocyclohexyl)methyl]-1-methyl-8-[(1-methylsulfonylcyclopropyl)methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCC2CCC(F)(F)CC2)cc2ccnc(OCC3(S(C)(=O)=O)CC3)c21
InChIInChI=1S/C22H27F2N3O5S/c1-27-17-15(5-10-25-19(17)32-13-21(8-9-21)33(2,30)31)11-16(20(27)29)18(28)26-12-14-3-6-22(23,24)7-4-14/h5,10-11,14H,3-4,6-9,12-13H2,1-2H3,(H,26,28)
InChIKeyBGIAEPCRVQTUDF-UHFFFAOYSA-N
XLogP2.44
TPSA107.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.54
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4,4-difluorocyclohexyl)methyl]-1-methyl-8-[(1-methylsulfonylcyclopropyl)methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide?
The IUPAC name of N-[(4,4-difluorocyclohexyl)methyl]-1-methyl-8-[(1-methylsulfonylcyclopropyl)methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide (CID 169147664) is N-[(4,4-difluorocyclohexyl)methyl]-1-methyl-8-[(1-methylsulfonylcyclopropyl)methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(4,4-difluorocyclohexyl)methyl]-1-methyl-8-[(1-methylsulfonylcyclopropyl)methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(4,4-difluorocyclohexyl)methyl]-1-methyl-8-[(1-methylsulfonylcyclopropyl)methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide is Cn1c(=O)c(C(=O)NCC2CCC(F)(F)CC2)cc2ccnc(OCC3(S(C)(=O)=O)CC3)c21.
What is the InChIKey of N-[(4,4-difluorocyclohexyl)methyl]-1-methyl-8-[(1-methylsulfonylcyclopropyl)methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide?
The InChIKey is BGIAEPCRVQTUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2N3O5S/c1-27-17-15(5-10-25-19(17)32-13-21(8-9-21)33(2,30)31)11-16(20(27)29)18(28)26-12-14-3-6-22(23,24)7-4-14/h5,10-11,14H,3-4,6-9,12-13H2,1-2H3,(H,26,28).
What are the key properties of N-[(4,4-difluorocyclohexyl)methyl]-1-methyl-8-[(1-methylsulfonylcyclopropyl)methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide?
N-[(4,4-difluorocyclohexyl)methyl]-1-methyl-8-[(1-methylsulfonylcyclopropyl)methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide has a molecular weight of 483.54 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-difluorocyclohexyl)methyl]-1-methyl-8-[(1-methylsulfonylcyclopropyl)methoxy]-2-oxo-1,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 169147664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).