N-[2-amino-3'-(3,6-dihydro-2H-pyran-5-yl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide

C26H22ClN5O4 — CID 78105290

About N-[2-amino-3'-(3,6-dihydro-2H-pyran-5-yl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide

N-[2-amino-3'-(3,6-dihydro-2H-pyran-5-yl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide (PubChem CID 78105290) has the molecular formula C26H22ClN5O4 and a molecular weight of 503.95 g/mol. Its IUPAC name is N-[2-amino-3'-(3,6-dihydro-2H-pyran-5-yl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-amino-3'-(3,6-dihydro-2H-pyran-5-yl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide
• PubChem CID: 78105290
• Molecular Formula: C26H22ClN5O4
• Molecular Weight: 503.95 g/mol
• Exact Mass: 503.14
• IUPAC Name: N-[2-amino-3'-(3,6-dihydro-2H-pyran-5-yl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide
• SMILES: NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1ncc(C3=CCCOC3)cc12
• InChI: InChI=1S/C26H22ClN5O4/c27-17-3-5-21(29-13-17)23(33)31-18-4-6-22-19(11-18)26(7-9-35-25(28)32-26)20-10-16(12-30-24(20)36-22)15-2-1-8-34-14-15/h2-6,10-13H,1,7-9,14H2,(H2,28,32)(H,31,33)
• InChIKey: FVORLUIZFYFKJJ-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 120.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.95
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-3'-(3,6-dihydro-2H-pyran-5-yl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide?

The IUPAC name of N-[2-amino-3'-(3,6-dihydro-2H-pyran-5-yl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide (CID 78105290) is N-[2-amino-3'-(3,6-dihydro-2H-pyran-5-yl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide.

What is the SMILES notation for N-[2-amino-3'-(3,6-dihydro-2H-pyran-5-yl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide?

The canonical SMILES for N-[2-amino-3'-(3,6-dihydro-2H-pyran-5-yl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide is NC1=NC2(CCO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1ncc(C3=CCCOC3)cc12.

What is the InChIKey of N-[2-amino-3'-(3,6-dihydro-2H-pyran-5-yl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide?

The InChIKey is FVORLUIZFYFKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN5O4/c27-17-3-5-21(29-13-17)23(33)31-18-4-6-22-19(11-18)26(7-9-35-25(28)32-26)20-10-16(12-30-24(20)36-22)15-2-1-8-34-14-15/h2-6,10-13H,1,7-9,14H2,(H2,28,32)(H,31,33).

What are the key properties of N-[2-amino-3'-(3,6-dihydro-2H-pyran-5-yl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide?

N-[2-amino-3'-(3,6-dihydro-2H-pyran-5-yl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide has a molecular weight of 503.95 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-amino-3'-(3,6-dihydro-2H-pyran-5-yl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide is sourced from PubChem (CID 78105290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).