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

C26H22ClN5O4 — CID 78105085

IUPACN-[2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide
SMILESNC1=NC2(CCO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1ncc(C3=CCOCC3)cc12
InChIInChI=1S/C26H22ClN5O4/c27-17-1-3-21(29-14-17)23(33)31-18-2-4-22-19(12-18)26(7-10-35-25(28)32-26)20-11-16(13-30-24(20)36-22)15-5-8-34-9-6-15/h1-5,11-14H,6-10H2,(H2,28,32)(H,31,33)
InChIKeyPZNAKLZXOQENGY-UHFFFAOYSA-N
MW503.95 g/mol
LogP4.27
Rot. Bonds3

About N-[2-amino-3'-(3,6-dihydro-2H-pyran-4-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-4-yl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide (PubChem CID 78105085) 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-4-yl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide
PubChem CID78105085
Molecular FormulaC26H22ClN5O4
Molecular Weight503.95 g/mol
Exact Mass503.14
IUPAC NameN-[2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide
SMILESNC1=NC2(CCO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1ncc(C3=CCOCC3)cc12
InChIInChI=1S/C26H22ClN5O4/c27-17-1-3-21(29-14-17)23(33)31-18-2-4-22-19(12-18)26(7-10-35-25(28)32-26)20-11-16(13-30-24(20)36-22)15-5-8-34-9-6-15/h1-5,11-14H,6-10H2,(H2,28,32)(H,31,33)
InChIKeyPZNAKLZXOQENGY-UHFFFAOYSA-N
XLogP4.27
TPSA120.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.95
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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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-[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
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-1'-fluoro-3'-(2-fluoro-4-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-cyanopyridine-2-carboxamide
CID 78104936
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'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl)-5-but-2-ynoxypyrazine-2-carboxamide
CID 78105160
N-[2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-cyanopyridine-2-carboxamide
CID 78105200
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

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-3'-(3,6-dihydro-2H-pyran-4-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-4-yl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide (CID 78105085) is N-[2-amino-3'-(3,6-dihydro-2H-pyran-4-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-4-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-4-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=CCOCC3)cc12.
What is the InChIKey of N-[2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide?
The InChIKey is PZNAKLZXOQENGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN5O4/c27-17-1-3-21(29-14-17)23(33)31-18-2-4-22-19(12-18)26(7-10-35-25(28)32-26)20-11-16(13-30-24(20)36-22)15-5-8-34-9-6-15/h1-5,11-14H,6-10H2,(H2,28,32)(H,31,33).
What are the key properties of N-[2-amino-3'-(3,6-dihydro-2H-pyran-4-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-4-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-4-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 78105085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).