N-[(4S)-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 71542621

IUPACN-[(4S)-2-amino-3'-cyclopropylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide
SMILESNC1=N[C@@]2(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)/t24-/m0/s1
InChIKeyWTFLBFWFBAZJJQ-DEOSSOPVSA-N
MW461.91 g/mol
LogP4.34
Rot. Bonds3

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

N-[(4S)-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 71542621) has the molecular formula C24H20ClN5O3 and a molecular weight of 461.91 g/mol. Its IUPAC name is N-[(4S)-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-[(4S)-2-amino-3'-cyclopropylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide
PubChem CID71542621
Molecular FormulaC24H20ClN5O3
Molecular Weight461.91 g/mol
Exact Mass461.13
IUPAC NameN-[(4S)-2-amino-3'-cyclopropylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide
SMILESNC1=N[C@@]2(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)/t24-/m0/s1
InChIKeyWTFLBFWFBAZJJQ-DEOSSOPVSA-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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Related Compounds

N-(2-amino-3'-bromospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-7'-yl)-5-chloropyridine-2-carboxamide
CID 78104844
N-[2-amino-3'-(3,3-dimethylbut-1-ynyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide
CID 78105292
N-[(4S)-2-amino-1'-fluoro-3'-(5-fluoro-3-pyridinyl)spiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide
CID 71543068
N-[(4S)-2-amino-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyrazine-2-carboxamide
CID 71542788
N-(2-amino-3'-chloro-1'-fluorospiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl)-5-cyanopyridine-2-carboxamide
CID 78104889
N-(2'-aminospiro[2,3-dihydrochromene-4,4'-5,6-dihydro-1,3-thiazine]-6-yl)-5-chloropyridine-2-carboxamide;ethane
CID 143933560
N-(2'-amino-3a-methylspiro[1,2,3,9a-tetrahydrocyclopenta[b]chromene-9,4'-5H-1,3-oxazole]-7-yl)-5-chloropyridine-2-carboxamide
CID 77323911
N-[3-[(8aS)-2-amino-4,4a,5,6,7,8-hexahydro-3,1-benzoxazin-8a-yl]-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 53251519
N-[(4S)-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-fluoropyridine-2-carboxamide
CID 71542524
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-fluoropyridine-2-carboxamide
CID 78105035
N-[2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-methoxyspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-fluoropyridine-2-carboxamide
CID 78105036
N-[(4S)-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-methoxypyridine-2-carboxamide
CID 71542622

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-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-[(4S)-2-amino-3'-cyclopropylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide (CID 71542621) is N-[(4S)-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-[(4S)-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-[(4S)-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=N[C@@]2(CCO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1ncc(C3CC3)cc12.
What is the InChIKey of N-[(4S)-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-DEOSSOPVSA-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)/t24-/m0/s1.
What are the key properties of N-[(4S)-2-amino-3'-cyclopropylspiro[5,6-dihydro-1,3-oxazine-4,5'-chromeno[2,3-b]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide?
N-[(4S)-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-[(4S)-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 71542621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).