(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)oxane-2-carboxamide

C23H25N5O5 — CID 11698127

IUPAC(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)oxane-2-carboxamide
SMILESCOc1ccc2nccc(NC(=O)[C@@H]3CC[C@@H](NCc4cc5c(cn4)OCCO5)CO3)c2n1
InChIInChI=1S/C23H25N5O5/c1-30-21-5-3-16-22(28-21)17(6-7-24-16)27-23(29)18-4-2-14(13-33-18)25-11-15-10-19-20(12-26-15)32-9-8-31-19/h3,5-7,10,12,14,18,25H,2,4,8-9,11,13H2,1H3,(H,24,27,29)/t14-,18+/m1/s1
InChIKeyHDUOQGPJPLEPTI-KDOFPFPSSA-N
MW451.48 g/mol
LogP2.08
Rot. Bonds6

About (2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)oxane-2-carboxamide

(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)oxane-2-carboxamide (PubChem CID 11698127) has the molecular formula C23H25N5O5 and a molecular weight of 451.48 g/mol. Its IUPAC name is (2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)oxane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)oxane-2-carboxamide
PubChem CID11698127
Molecular FormulaC23H25N5O5
Molecular Weight451.48 g/mol
Exact Mass451.19
IUPAC Name(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)oxane-2-carboxamide
SMILESCOc1ccc2nccc(NC(=O)[C@@H]3CC[C@@H](NCc4cc5c(cn4)OCCO5)CO3)c2n1
InChIInChI=1S/C23H25N5O5/c1-30-21-5-3-16-22(28-21)17(6-7-24-16)27-23(29)18-4-2-14(13-33-18)25-11-15-10-19-20(12-26-15)32-9-8-31-19/h3,5-7,10,12,14,18,25H,2,4,8-9,11,13H2,1H3,(H,24,27,29)/t14-,18+/m1/s1
InChIKeyHDUOQGPJPLEPTI-KDOFPFPSSA-N
XLogP2.08
TPSA116.72 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)oxane-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)oxane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)oxane-2-carboxamide (CID 11698127) is (2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)oxane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)oxane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)oxane-2-carboxamide is COc1ccc2nccc(NC(=O)[C@@H]3CC[C@@H](NCc4cc5c(cn4)OCCO5)CO3)c2n1.
What is the InChIKey of (2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)oxane-2-carboxamide?
The InChIKey is HDUOQGPJPLEPTI-KDOFPFPSSA-N. The full InChI is InChI=1S/C23H25N5O5/c1-30-21-5-3-16-22(28-21)17(6-7-24-16)27-23(29)18-4-2-14(13-33-18)25-11-15-10-19-20(12-26-15)32-9-8-31-19/h3,5-7,10,12,14,18,25H,2,4,8-9,11,13H2,1H3,(H,24,27,29)/t14-,18+/m1/s1.
What are the key properties of (2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)oxane-2-carboxamide?
(2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)oxane-2-carboxamide has a molecular weight of 451.48 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)-N-(6-methoxy-1,5-naphthyridin-4-yl)oxane-2-carboxamide is sourced from PubChem (CID 11698127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).