(2S,3S)-2-methyl-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)oxane-3-carboxamide

C17H25N3O3 — CID 128977896

IUPAC(2S,3S)-2-methyl-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)oxane-3-carboxamide
SMILESCc1nc(N2CCOCC2)ccc1NC(=O)[C@H]1CCCO[C@H]1C
InChIInChI=1S/C17H25N3O3/c1-12-15(19-17(21)14-4-3-9-23-13(14)2)5-6-16(18-12)20-7-10-22-11-8-20/h5-6,13-14H,3-4,7-11H2,1-2H3,(H,19,21)/t13-,14-/m0/s1
InChIKeyUAANJWFBVYRHJK-KBPBESRZSA-N
MW319.40 g/mol
LogP1.98
Rot. Bonds3

About (2S,3S)-2-methyl-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)oxane-3-carboxamide

(2S,3S)-2-methyl-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)oxane-3-carboxamide (PubChem CID 128977896) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is (2S,3S)-2-methyl-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)oxane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-methyl-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)oxane-3-carboxamide
PubChem CID128977896
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name(2S,3S)-2-methyl-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)oxane-3-carboxamide
SMILESCc1nc(N2CCOCC2)ccc1NC(=O)[C@H]1CCCO[C@H]1C
InChIInChI=1S/C17H25N3O3/c1-12-15(19-17(21)14-4-3-9-23-13(14)2)5-6-16(18-12)20-7-10-22-11-8-20/h5-6,13-14H,3-4,7-11H2,1-2H3,(H,19,21)/t13-,14-/m0/s1
InChIKeyUAANJWFBVYRHJK-KBPBESRZSA-N
XLogP1.98
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-methyl-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)oxane-3-carboxamide?
The IUPAC name of (2S,3S)-2-methyl-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)oxane-3-carboxamide (CID 128977896) is (2S,3S)-2-methyl-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)oxane-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-methyl-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)oxane-3-carboxamide?
The canonical SMILES for (2S,3S)-2-methyl-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)oxane-3-carboxamide is Cc1nc(N2CCOCC2)ccc1NC(=O)[C@H]1CCCO[C@H]1C.
What is the InChIKey of (2S,3S)-2-methyl-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)oxane-3-carboxamide?
The InChIKey is UAANJWFBVYRHJK-KBPBESRZSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12-15(19-17(21)14-4-3-9-23-13(14)2)5-6-16(18-12)20-7-10-22-11-8-20/h5-6,13-14H,3-4,7-11H2,1-2H3,(H,19,21)/t13-,14-/m0/s1.
What are the key properties of (2S,3S)-2-methyl-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)oxane-3-carboxamide?
(2S,3S)-2-methyl-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)oxane-3-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-methyl-N-(2-methyl-6-morpholin-4-yl-3-pyridinyl)oxane-3-carboxamide is sourced from PubChem (CID 128977896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).