[(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-[2-(dimethylamino)-4-pyridinyl]methanone

C16H23N3O2 — CID 97060768

IUPAC[(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-[2-(dimethylamino)-4-pyridinyl]methanone
SMILESCN(C)c1cc(C(=O)N2CC[C@H]3OCCC[C@@H]3C2)ccn1
InChIInChI=1S/C16H23N3O2/c1-18(2)15-10-12(5-7-17-15)16(20)19-8-6-14-13(11-19)4-3-9-21-14/h5,7,10,13-14H,3-4,6,8-9,11H2,1-2H3/t13-,14-/m1/s1
InChIKeyMILQULJKVPKGMB-ZIAGYGMSSA-N
MW289.38 g/mol
LogP1.79
Rot. Bonds2

About [(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-[2-(dimethylamino)-4-pyridinyl]methanone

[(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-[2-(dimethylamino)-4-pyridinyl]methanone (PubChem CID 97060768) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is [(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-[2-(dimethylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-[2-(dimethylamino)-4-pyridinyl]methanone
PubChem CID97060768
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name[(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-[2-(dimethylamino)-4-pyridinyl]methanone
SMILESCN(C)c1cc(C(=O)N2CC[C@H]3OCCC[C@@H]3C2)ccn1
InChIInChI=1S/C16H23N3O2/c1-18(2)15-10-12(5-7-17-15)16(20)19-8-6-14-13(11-19)4-3-9-21-14/h5,7,10,13-14H,3-4,6,8-9,11H2,1-2H3/t13-,14-/m1/s1
InChIKeyMILQULJKVPKGMB-ZIAGYGMSSA-N
XLogP1.79
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-[2-(dimethylamino)-4-pyridinyl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[2-(dimethylamino)-4-pyridinyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79031539
[2-(dimethylamino)-4-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
CID 43476814
[2-(dimethylamino)-4-pyridinyl]-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 129352513
[2-(dimethylamino)-4-pyridinyl]-[(3R)-3-(4-methylphenyl)piperidin-1-yl]methanone
CID 125474294
[(4aS,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(4-hydroxy-3-nitrophenyl)methanone
CID 99577529
[(4aR,8aS)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-(4-hydroxy-3-nitrophenyl)methanone
CID 99577528
[(3R)-3-(2-chlorophenyl)piperidin-1-yl]-[2-(dimethylamino)-4-pyridinyl]methanone
CID 125474114
[2-(dimethylamino)-4-pyridinyl]-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 96511701
7-[(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carbonyl]-1-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 99622294
1,3-benzodioxol-5-yl-[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]methanone
CID 124955424
tert-butyl N-[[(3R)-1-[2-(dimethylamino)pyridine-4-carbonyl]pyrrolidin-3-yl]methyl]carbamate
CID 96548737
1-[2-(dimethylamino)pyridine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79364373

Frequently Asked Questions

What is the IUPAC name of [(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-[2-(dimethylamino)-4-pyridinyl]methanone?
The IUPAC name of [(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-[2-(dimethylamino)-4-pyridinyl]methanone (CID 97060768) is [(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-[2-(dimethylamino)-4-pyridinyl]methanone.
What is the SMILES notation for [(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-[2-(dimethylamino)-4-pyridinyl]methanone?
The canonical SMILES for [(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-[2-(dimethylamino)-4-pyridinyl]methanone is CN(C)c1cc(C(=O)N2CC[C@H]3OCCC[C@@H]3C2)ccn1.
What is the InChIKey of [(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-[2-(dimethylamino)-4-pyridinyl]methanone?
The InChIKey is MILQULJKVPKGMB-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-18(2)15-10-12(5-7-17-15)16(20)19-8-6-14-13(11-19)4-3-9-21-14/h5,7,10,13-14H,3-4,6,8-9,11H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of [(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-[2-(dimethylamino)-4-pyridinyl]methanone?
[(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-[2-(dimethylamino)-4-pyridinyl]methanone has a molecular weight of 289.38 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-[2-(dimethylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 97060768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).