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

C27H24ClN5O5 — CID 89461817

About 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

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 (PubChem CID 89461817) has the molecular formula C27H24ClN5O5 and a molecular weight of 533.97 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 89461817
• Molecular Formula: C27H24ClN5O5
• Molecular Weight: 533.97 g/mol
• Exact Mass: 533.15
• IUPAC Name: 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
• SMILES: COc1nc(C2=CCOCC2)cc2c1Oc1ccc(NC(=O)c3ccc(Cl)cn3)cc1[C@@]21CCN=C(N)O1
• InChI: InChI=1S/C27H24ClN5O5/c1-35-25-23-19(13-21(33-25)15-6-10-36-11-7-15)27(8-9-30-26(29)38-27)18-12-17(3-5-22(18)37-23)32-24(34)20-4-2-16(28)14-31-20/h2-6,12-14H,7-11H2,1H3,(H2,29,30)(H,32,34)/t27-/m0/s1
• InChIKey: TWDIOMYXNXHKQZ-MHZLTWQESA-N
• XLogP: 4.28
• TPSA: 130.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.97
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is COc1nc(C2=CCOCC2)cc2c1Oc1ccc(NC(=O)c3ccc(Cl)cn3)cc1[C@@]21CCN=C(N)O1.

What is the InChIKey of 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?

The InChIKey is TWDIOMYXNXHKQZ-MHZLTWQESA-N. The full InChI is InChI=1S/C27H24ClN5O5/c1-35-25-23-19(13-21(33-25)15-6-10-36-11-7-15)27(8-9-30-26(29)38-27)18-12-17(3-5-22(18)37-23)32-24(34)20-4-2-16(28)14-31-20/h2-6,12-14H,7-11H2,1H3,(H2,29,30)(H,32,34)/t27-/m0/s1.

What are the key properties of 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?

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 has a molecular weight of 533.97 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 89461817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).