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

C24H20ClN5O3 — CID 78105082

IUPACN-(2-amino-3'-cyclopropylspiro[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(C3CC3)cc12
InChIInChI=1S/C24H20ClN5O3/c25-15-3-5-19(27-12-15)21(31)29-16-4-6-20-17(10-16)24(7-8-32-23(26)30-24)18-9-14(13-1-2-13)11-28-22(18)33-20/h3-6,9-13H,1-2,7-8H2,(H2,26,30)(H,29,31)
InChIKeyWTFLBFWFBAZJJQ-UHFFFAOYSA-N
MW461.91 g/mol
LogP4.34
Rot. Bonds3

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

N-(2-amino-3'-cyclopropylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-7'-yl)-5-chloropyridine-2-carboxamide (PubChem CID 78105082) has the molecular formula C24H20ClN5O3 and a molecular weight of 461.91 g/mol. Its IUPAC name is N-(2-amino-3'-cyclopropylspiro[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'-cyclopropylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-7'-yl)-5-chloropyridine-2-carboxamide
PubChem CID78105082
Molecular FormulaC24H20ClN5O3
Molecular Weight461.91 g/mol
Exact Mass461.13
IUPAC NameN-(2-amino-3'-cyclopropylspiro[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(C3CC3)cc12
InChIInChI=1S/C24H20ClN5O3/c25-15-3-5-19(27-12-15)21(31)29-16-4-6-20-17(10-16)24(7-8-32-23(26)30-24)18-9-14(13-1-2-13)11-28-22(18)33-20/h3-6,9-13H,1-2,7-8H2,(H2,26,30)(H,29,31)
InChIKeyWTFLBFWFBAZJJQ-UHFFFAOYSA-N
XLogP4.34
TPSA111.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.91
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3'-cyclopropylspiro[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'-cyclopropylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-7'-yl)-5-chloropyridine-2-carboxamide (CID 78105082) is N-(2-amino-3'-cyclopropylspiro[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'-cyclopropylspiro[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'-cyclopropylspiro[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(C3CC3)cc12.
What is the InChIKey of N-(2-amino-3'-cyclopropylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-7'-yl)-5-chloropyridine-2-carboxamide?
The InChIKey is WTFLBFWFBAZJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O3/c25-15-3-5-19(27-12-15)21(31)29-16-4-6-20-17(10-16)24(7-8-32-23(26)30-24)18-9-14(13-1-2-13)11-28-22(18)33-20/h3-6,9-13H,1-2,7-8H2,(H2,26,30)(H,29,31).
What are the key properties of N-(2-amino-3'-cyclopropylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-7'-yl)-5-chloropyridine-2-carboxamide?
N-(2-amino-3'-cyclopropylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-7'-yl)-5-chloropyridine-2-carboxamide has a molecular weight of 461.91 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3'-cyclopropylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-7'-yl)-5-chloropyridine-2-carboxamide is sourced from PubChem (CID 78105082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).