[(4aS,8R,8aS)-8-pyrrolidin-1-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(6-methyl-3-pyridinyl)methanone

C19H27N3O2 — CID 97364503

IUPAC[(4aS,8R,8aS)-8-pyrrolidin-1-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](N3CCCC3)C2)cn1
InChIInChI=1S/C19H27N3O2/c1-14-6-7-15(11-20-14)19(23)22-12-16-5-4-10-24-18(16)17(13-22)21-8-2-3-9-21/h6-7,11,16-18H,2-5,8-10,12-13H2,1H3/t16-,17+,18-/m0/s1
InChIKeyZWOZAQUASNTFGC-KSZLIROESA-N
MW329.44 g/mol
LogP2.11
Rot. Bonds2

About [(4aS,8R,8aS)-8-pyrrolidin-1-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-pyrrolidin-1-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(6-methyl-3-pyridinyl)methanone (PubChem CID 97364503) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is [(4aS,8R,8aS)-8-pyrrolidin-1-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-pyrrolidin-1-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(6-methyl-3-pyridinyl)methanone
PubChem CID97364503
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name[(4aS,8R,8aS)-8-pyrrolidin-1-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](N3CCCC3)C2)cn1
InChIInChI=1S/C19H27N3O2/c1-14-6-7-15(11-20-14)19(23)22-12-16-5-4-10-24-18(16)17(13-22)21-8-2-3-9-21/h6-7,11,16-18H,2-5,8-10,12-13H2,1H3/t16-,17+,18-/m0/s1
InChIKeyZWOZAQUASNTFGC-KSZLIROESA-N
XLogP2.11
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(4aS,8R,8aS)-8-pyrrolidin-1-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(6-methyl-3-pyridinyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(4aS,8R,8aS)-8-pyrrolidin-1-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-pyrrolidin-1-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(6-methyl-3-pyridinyl)methanone (CID 97364503) is [(4aS,8R,8aS)-8-pyrrolidin-1-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-pyrrolidin-1-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-pyrrolidin-1-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](N3CCCC3)C2)cn1.
What is the InChIKey of [(4aS,8R,8aS)-8-pyrrolidin-1-yl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(6-methyl-3-pyridinyl)methanone?
The InChIKey is ZWOZAQUASNTFGC-KSZLIROESA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14-6-7-15(11-20-14)19(23)22-12-16-5-4-10-24-18(16)17(13-22)21-8-2-3-9-21/h6-7,11,16-18H,2-5,8-10,12-13H2,1H3/t16-,17+,18-/m0/s1.
What are the key properties of [(4aS,8R,8aS)-8-pyrrolidin-1-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-pyrrolidin-1-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 329.44 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,8R,8aS)-8-pyrrolidin-1-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 97364503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).