N-[(6S)-2-amino-5'-fluoro-7'-methoxyspiro[4,5-dihydro-1,3-oxazine-6,9'-xanthene]-2'-yl]-5-cyanopyridine-2-carboxamide

C24H18FN5O4 — CID 71541947

IUPACN-[(6S)-2-amino-5'-fluoro-7'-methoxyspiro[4,5-dihydro-1,3-oxazine-6,9'-xanthene]-2'-yl]-5-cyanopyridine-2-carboxamide
SMILESCOc1cc(F)c2c(c1)[C@]1(CCN=C(N)O1)c1cc(NC(=O)c3ccc(C#N)cn3)ccc1O2
InChIInChI=1S/C24H18FN5O4/c1-32-15-9-17-21(18(25)10-15)33-20-5-3-14(8-16(20)24(17)6-7-28-23(27)34-24)30-22(31)19-4-2-13(11-26)12-29-19/h2-5,8-10,12H,6-7H2,1H3,(H2,27,28)(H,30,31)/t24-/m0/s1
InChIKeyKFPPIEYZTIEYGF-DEOSSOPVSA-N
MW459.44 g/mol
LogP3.44
Rot. Bonds3

About N-[(6S)-2-amino-5'-fluoro-7'-methoxyspiro[4,5-dihydro-1,3-oxazine-6,9'-xanthene]-2'-yl]-5-cyanopyridine-2-carboxamide

N-[(6S)-2-amino-5'-fluoro-7'-methoxyspiro[4,5-dihydro-1,3-oxazine-6,9'-xanthene]-2'-yl]-5-cyanopyridine-2-carboxamide (PubChem CID 71541947) has the molecular formula C24H18FN5O4 and a molecular weight of 459.44 g/mol. Its IUPAC name is N-[(6S)-2-amino-5'-fluoro-7'-methoxyspiro[4,5-dihydro-1,3-oxazine-6,9'-xanthene]-2'-yl]-5-cyanopyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(6S)-2-amino-5'-fluoro-7'-methoxyspiro[4,5-dihydro-1,3-oxazine-6,9'-xanthene]-2'-yl]-5-cyanopyridine-2-carboxamide
PubChem CID71541947
Molecular FormulaC24H18FN5O4
Molecular Weight459.44 g/mol
Exact Mass459.13
IUPAC NameN-[(6S)-2-amino-5'-fluoro-7'-methoxyspiro[4,5-dihydro-1,3-oxazine-6,9'-xanthene]-2'-yl]-5-cyanopyridine-2-carboxamide
SMILESCOc1cc(F)c2c(c1)[C@]1(CCN=C(N)O1)c1cc(NC(=O)c3ccc(C#N)cn3)ccc1O2
InChIInChI=1S/C24H18FN5O4/c1-32-15-9-17-21(18(25)10-15)33-20-5-3-14(8-16(20)24(17)6-7-28-23(27)34-24)30-22(31)19-4-2-13(11-26)12-29-19/h2-5,8-10,12H,6-7H2,1H3,(H2,27,28)(H,30,31)/t24-/m0/s1
InChIKeyKFPPIEYZTIEYGF-DEOSSOPVSA-N
XLogP3.44
TPSA131.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.44
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(6S)-2-amino-5'-fluoro-7'-methoxyspiro[4,5-dihydro-1,3-oxazine-6,9'-xanthene]-2'-yl]-5-cyanopyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4S)-2-amino-5'-fluoro-7'-methoxyspiro[5,6-dihydro-1,3-thiazine-4,9'-xanthene]-2'-yl]-5-methoxypyrazine-2-carboxamide
CID 71542790
N-(2-amino-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl)-5-cyanopyridine-2-carboxamide
CID 78104889
N-[(6S)-2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-methoxyspiro[4,5-dihydro-1,3-oxazine-6,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide
CID 89461817
5-cyano-N-(3,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 63716894
N-[(3R)-2'-amino-5',5'-difluorospiro[1,2-dihydroindene-3,4'-6H-1,3-oxazine]-5-yl]-5-cyanopyridine-2-carboxamide
CID 71059402
N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6-oxo-1,3-oxazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 67235585
N-[(4S)-2-amino-3'-(3,6-dihydro-2H-pyran-5-yl)-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-cyanopyridine-2-carboxamide
CID 71542702
N-[3-(2-amino-4a,5,6,7-tetrahydro-4H-cyclopenta[d][1,3]oxazin-7a-yl)-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 53251674
CID 90248997
CID 90248997
N-[3-[(4S)-2-amino-5,5-difluoro-4-(fluoromethyl)-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 71112644
N-[3-[(8R)-6-amino-5,8-dimethyl-4,4-dioxo-4λ6-thia-5,7-diazaspiro[2.5]oct-6-en-8-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 118190070
N-[3-[(4S,5S)-2-amino-5-fluoro-4-(fluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 66559097

Frequently Asked Questions

What is the IUPAC name of N-[(6S)-2-amino-5'-fluoro-7'-methoxyspiro[4,5-dihydro-1,3-oxazine-6,9'-xanthene]-2'-yl]-5-cyanopyridine-2-carboxamide?
The IUPAC name of N-[(6S)-2-amino-5'-fluoro-7'-methoxyspiro[4,5-dihydro-1,3-oxazine-6,9'-xanthene]-2'-yl]-5-cyanopyridine-2-carboxamide (CID 71541947) is N-[(6S)-2-amino-5'-fluoro-7'-methoxyspiro[4,5-dihydro-1,3-oxazine-6,9'-xanthene]-2'-yl]-5-cyanopyridine-2-carboxamide.
What is the SMILES notation for N-[(6S)-2-amino-5'-fluoro-7'-methoxyspiro[4,5-dihydro-1,3-oxazine-6,9'-xanthene]-2'-yl]-5-cyanopyridine-2-carboxamide?
The canonical SMILES for N-[(6S)-2-amino-5'-fluoro-7'-methoxyspiro[4,5-dihydro-1,3-oxazine-6,9'-xanthene]-2'-yl]-5-cyanopyridine-2-carboxamide is COc1cc(F)c2c(c1)[C@]1(CCN=C(N)O1)c1cc(NC(=O)c3ccc(C#N)cn3)ccc1O2.
What is the InChIKey of N-[(6S)-2-amino-5'-fluoro-7'-methoxyspiro[4,5-dihydro-1,3-oxazine-6,9'-xanthene]-2'-yl]-5-cyanopyridine-2-carboxamide?
The InChIKey is KFPPIEYZTIEYGF-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H18FN5O4/c1-32-15-9-17-21(18(25)10-15)33-20-5-3-14(8-16(20)24(17)6-7-28-23(27)34-24)30-22(31)19-4-2-13(11-26)12-29-19/h2-5,8-10,12H,6-7H2,1H3,(H2,27,28)(H,30,31)/t24-/m0/s1.
What are the key properties of N-[(6S)-2-amino-5'-fluoro-7'-methoxyspiro[4,5-dihydro-1,3-oxazine-6,9'-xanthene]-2'-yl]-5-cyanopyridine-2-carboxamide?
N-[(6S)-2-amino-5'-fluoro-7'-methoxyspiro[4,5-dihydro-1,3-oxazine-6,9'-xanthene]-2'-yl]-5-cyanopyridine-2-carboxamide has a molecular weight of 459.44 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-2-amino-5'-fluoro-7'-methoxyspiro[4,5-dihydro-1,3-oxazine-6,9'-xanthene]-2'-yl]-5-cyanopyridine-2-carboxamide is sourced from PubChem (CID 71541947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).