[(4aS,8R,8aS)-8-morpholin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(6-methyl-3-pyridinyl)methanone

C19H27N3O3 — CID 97364521

IUPAC[(4aS,8R,8aS)-8-morpholin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2C[C@@H]3CCCO[C@@H]3[C@H](N3CCOCC3)C2)cn1
InChIInChI=1S/C19H27N3O3/c1-14-4-5-15(11-20-14)19(23)22-12-16-3-2-8-25-18(16)17(13-22)21-6-9-24-10-7-21/h4-5,11,16-18H,2-3,6-10,12-13H2,1H3/t16-,17+,18-/m0/s1
InChIKeyBLVKVONQEYWDMN-KSZLIROESA-N
MW345.44 g/mol
LogP1.34
Rot. Bonds2

About [(4aS,8R,8aS)-8-morpholin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(6-methyl-3-pyridinyl)methanone

[(4aS,8R,8aS)-8-morpholin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 97364521) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is [(4aS,8R,8aS)-8-morpholin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(4aS,8R,8aS)-8-morpholin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(6-methyl-3-pyridinyl)methanone
PubChem CID97364521
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name[(4aS,8R,8aS)-8-morpholin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(6-methyl-3-pyridinyl)methanone
SMILESCc1ccc(C(=O)N2C[C@@H]3CCCO[C@@H]3[C@H](N3CCOCC3)C2)cn1
InChIInChI=1S/C19H27N3O3/c1-14-4-5-15(11-20-14)19(23)22-12-16-3-2-8-25-18(16)17(13-22)21-6-9-24-10-7-21/h4-5,11,16-18H,2-3,6-10,12-13H2,1H3/t16-,17+,18-/m0/s1
InChIKeyBLVKVONQEYWDMN-KSZLIROESA-N
XLogP1.34
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(4aS,8R,8aS)-8-morpholin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(6-methyl-3-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(4aS,8R,8aS)-8-morpholin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(6-methyl-3-pyridinyl)methanone?
The IUPAC name of [(4aS,8R,8aS)-8-morpholin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(6-methyl-3-pyridinyl)methanone (CID 97364521) is [(4aS,8R,8aS)-8-morpholin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for [(4aS,8R,8aS)-8-morpholin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(6-methyl-3-pyridinyl)methanone?
The canonical SMILES for [(4aS,8R,8aS)-8-morpholin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(6-methyl-3-pyridinyl)methanone is Cc1ccc(C(=O)N2C[C@@H]3CCCO[C@@H]3[C@H](N3CCOCC3)C2)cn1.
What is the InChIKey of [(4aS,8R,8aS)-8-morpholin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(6-methyl-3-pyridinyl)methanone?
The InChIKey is BLVKVONQEYWDMN-KSZLIROESA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14-4-5-15(11-20-14)19(23)22-12-16-3-2-8-25-18(16)17(13-22)21-6-9-24-10-7-21/h4-5,11,16-18H,2-3,6-10,12-13H2,1H3/t16-,17+,18-/m0/s1.
What are the key properties of [(4aS,8R,8aS)-8-morpholin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(6-methyl-3-pyridinyl)methanone?
[(4aS,8R,8aS)-8-morpholin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(6-methyl-3-pyridinyl)methanone has a molecular weight of 345.44 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,8R,8aS)-8-morpholin-4-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 97364521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).