N-[2-amino-7'-(3,6-dihydro-2H-pyran-5-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2'-yl]-5-chloropyridine-2-carboxamide

C26H21ClN4O4 — CID 127044896

IUPACN-[2-amino-7'-(3,6-dihydro-2H-pyran-5-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2'-yl]-5-chloropyridine-2-carboxamide
SMILESNC1=NC2(CO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1ccc(C3=CCCOC3)cc12
InChIInChI=1S/C26H21ClN4O4/c27-17-4-6-21(29-12-17)24(32)30-18-5-8-23-20(11-18)26(14-34-25(28)31-26)19-10-15(3-7-22(19)35-23)16-2-1-9-33-13-16/h2-8,10-12H,1,9,13-14H2,(H2,28,31)(H,30,32)
InChIKeyATJYSDBHTACSOH-UHFFFAOYSA-N
MW488.93 g/mol
LogP4.49
Rot. Bonds3

About N-[2-amino-7'-(3,6-dihydro-2H-pyran-5-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2'-yl]-5-chloropyridine-2-carboxamide

N-[2-amino-7'-(3,6-dihydro-2H-pyran-5-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2'-yl]-5-chloropyridine-2-carboxamide (PubChem CID 127044896) has the molecular formula C26H21ClN4O4 and a molecular weight of 488.93 g/mol. Its IUPAC name is N-[2-amino-7'-(3,6-dihydro-2H-pyran-5-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2'-yl]-5-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-amino-7'-(3,6-dihydro-2H-pyran-5-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2'-yl]-5-chloropyridine-2-carboxamide
PubChem CID127044896
Molecular FormulaC26H21ClN4O4
Molecular Weight488.93 g/mol
Exact Mass488.13
IUPAC NameN-[2-amino-7'-(3,6-dihydro-2H-pyran-5-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2'-yl]-5-chloropyridine-2-carboxamide
SMILESNC1=NC2(CO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1ccc(C3=CCCOC3)cc12
InChIInChI=1S/C26H21ClN4O4/c27-17-4-6-21(29-12-17)24(32)30-18-5-8-23-20(11-18)26(14-34-25(28)31-26)19-10-15(3-7-22(19)35-23)16-2-1-9-33-13-16/h2-8,10-12H,1,9,13-14H2,(H2,28,31)(H,30,32)
InChIKeyATJYSDBHTACSOH-UHFFFAOYSA-N
XLogP4.49
TPSA108.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.93
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4S)-2-amino-3'-(3,6-dihydro-2H-pyran-5-yl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide
CID 137348437
N-[(4S)-2-amino-3'-(oxan-4-yl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide
CID 145991785
N-[3-(4-amino-2-methyl-1,3-benzoxazin-2-yl)-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 73353578
N-[(4S)-2-amino-2',2'-dimethyldispiro[1,3-oxazole-4,4'-chromene-3',3''-oxetan]-6'-yl]-5-chloropyrid ine-2-carboxamide
CID 72202470
N-[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-methoxypyridine-2-carboxamide
CID 78104669
N-[2-amino-1'-fluoro-3'-(2-fluoro-4-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide
CID 78104711
N-[2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-fluorospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide
CID 78104985
N-[2-amino-3'-(3,6-dihydro-2H-pyran-5-yl)-1'-fluorospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide
CID 78105228
CID 90056497
CID 90056497
CID 90056502
CID 90056502
N-[2-amino-5'-fluoro-7'-(2-fluoro-4-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,9'-xanthene]-2'-yl]-5-cyanopyridine-2-carboxamide
CID 124222809
N-[(4S)-2-amino-3'-cyclopropylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide
CID 145980299

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-7'-(3,6-dihydro-2H-pyran-5-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2'-yl]-5-chloropyridine-2-carboxamide?
The IUPAC name of N-[2-amino-7'-(3,6-dihydro-2H-pyran-5-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2'-yl]-5-chloropyridine-2-carboxamide (CID 127044896) is N-[2-amino-7'-(3,6-dihydro-2H-pyran-5-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2'-yl]-5-chloropyridine-2-carboxamide.
What is the SMILES notation for N-[2-amino-7'-(3,6-dihydro-2H-pyran-5-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2'-yl]-5-chloropyridine-2-carboxamide?
The canonical SMILES for N-[2-amino-7'-(3,6-dihydro-2H-pyran-5-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2'-yl]-5-chloropyridine-2-carboxamide is NC1=NC2(CO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1ccc(C3=CCCOC3)cc12.
What is the InChIKey of N-[2-amino-7'-(3,6-dihydro-2H-pyran-5-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2'-yl]-5-chloropyridine-2-carboxamide?
The InChIKey is ATJYSDBHTACSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN4O4/c27-17-4-6-21(29-12-17)24(32)30-18-5-8-23-20(11-18)26(14-34-25(28)31-26)19-10-15(3-7-22(19)35-23)16-2-1-9-33-13-16/h2-8,10-12H,1,9,13-14H2,(H2,28,31)(H,30,32).
What are the key properties of N-[2-amino-7'-(3,6-dihydro-2H-pyran-5-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2'-yl]-5-chloropyridine-2-carboxamide?
N-[2-amino-7'-(3,6-dihydro-2H-pyran-5-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2'-yl]-5-chloropyridine-2-carboxamide has a molecular weight of 488.93 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-7'-(3,6-dihydro-2H-pyran-5-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2'-yl]-5-chloropyridine-2-carboxamide is sourced from PubChem (CID 127044896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).