(2S,5R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-5-[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]oxane-2-carboxamide

C23H24N6O4S — CID 11518618

IUPAC(2S,5R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-5-[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]oxane-2-carboxamide
SMILESCOc1ccc2nccc(NC(=O)[C@@H]3CC[C@@H](NCc4ccc5c(n4)NC(=O)CS5)CO3)c2n1
InChIInChI=1S/C23H24N6O4S/c1-32-20-7-4-15-21(29-20)16(8-9-24-15)27-23(31)17-5-2-14(11-33-17)25-10-13-3-6-18-22(26-13)28-19(30)12-34-18/h3-4,6-9,14,17,25H,2,5,10-12H2,1H3,(H,24,27,31)(H,26,28,30)/t14-,17+/m1/s1
InChIKeyNDXWAAKFUDDIDP-PBHICJAKSA-N
MW480.55 g/mol
LogP2.35
Rot. Bonds6

About (2S,5R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-5-[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]oxane-2-carboxamide

(2S,5R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-5-[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]oxane-2-carboxamide (PubChem CID 11518618) has the molecular formula C23H24N6O4S and a molecular weight of 480.55 g/mol. Its IUPAC name is (2S,5R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-5-[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]oxane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-5-[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]oxane-2-carboxamide
PubChem CID11518618
Molecular FormulaC23H24N6O4S
Molecular Weight480.55 g/mol
Exact Mass480.16
IUPAC Name(2S,5R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-5-[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]oxane-2-carboxamide
SMILESCOc1ccc2nccc(NC(=O)[C@@H]3CC[C@@H](NCc4ccc5c(n4)NC(=O)CS5)CO3)c2n1
InChIInChI=1S/C23H24N6O4S/c1-32-20-7-4-15-21(29-20)16(8-9-24-15)27-23(31)17-5-2-14(11-33-17)25-10-13-3-6-18-22(26-13)28-19(30)12-34-18/h3-4,6-9,14,17,25H,2,5,10-12H2,1H3,(H,24,27,31)(H,26,28,30)/t14-,17+/m1/s1
InChIKeyNDXWAAKFUDDIDP-PBHICJAKSA-N
XLogP2.35
TPSA127.36 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (2S,5R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-5-[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]oxane-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-5-[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]oxane-2-carboxamide?
The IUPAC name of (2S,5R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-5-[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]oxane-2-carboxamide (CID 11518618) is (2S,5R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-5-[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]oxane-2-carboxamide.
What is the SMILES notation for (2S,5R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-5-[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]oxane-2-carboxamide?
The canonical SMILES for (2S,5R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-5-[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]oxane-2-carboxamide is COc1ccc2nccc(NC(=O)[C@@H]3CC[C@@H](NCc4ccc5c(n4)NC(=O)CS5)CO3)c2n1.
What is the InChIKey of (2S,5R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-5-[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]oxane-2-carboxamide?
The InChIKey is NDXWAAKFUDDIDP-PBHICJAKSA-N. The full InChI is InChI=1S/C23H24N6O4S/c1-32-20-7-4-15-21(29-20)16(8-9-24-15)27-23(31)17-5-2-14(11-33-17)25-10-13-3-6-18-22(26-13)28-19(30)12-34-18/h3-4,6-9,14,17,25H,2,5,10-12H2,1H3,(H,24,27,31)(H,26,28,30)/t14-,17+/m1/s1.
What are the key properties of (2S,5R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-5-[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]oxane-2-carboxamide?
(2S,5R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-5-[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]oxane-2-carboxamide has a molecular weight of 480.55 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-N-(6-methoxy-1,5-naphthyridin-4-yl)-5-[(3-oxo-4H-pyrido[3,2-b][1,4]thiazin-6-yl)methylamino]oxane-2-carboxamide is sourced from PubChem (CID 11518618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).