N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

C20H34BN3O3 — CID 139021351

IUPACN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC1(C)OB(C2=CCN(C(=O)NC3CCN4CCCC4C3)CC2)OC1(C)C
InChIInChI=1S/C20H34BN3O3/c1-19(2)20(3,4)27-21(26-19)15-7-11-24(12-8-15)18(25)22-16-9-13-23-10-5-6-17(23)14-16/h7,16-17H,5-6,8-14H2,1-4H3,(H,22,25)
InChIKeyPWNGJYMUSWTLNF-UHFFFAOYSA-N
MW375.32 g/mol
LogP2.59
Rot. Bonds2

About N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 139021351) has the molecular formula C20H34BN3O3 and a molecular weight of 375.32 g/mol. Its IUPAC name is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID139021351
Molecular FormulaC20H34BN3O3
Molecular Weight375.32 g/mol
Exact Mass375.27
IUPAC NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC1(C)OB(C2=CCN(C(=O)NC3CCN4CCCC4C3)CC2)OC1(C)C
InChIInChI=1S/C20H34BN3O3/c1-19(2)20(3,4)27-21(26-19)15-7-11-24(12-8-15)18(25)22-16-9-13-23-10-5-6-17(23)14-16/h7,16-17H,5-6,8-14H2,1-4H3,(H,22,25)
InChIKeyPWNGJYMUSWTLNF-UHFFFAOYSA-N
XLogP2.59
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide with MolForge

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Related Compounds

cyclohexyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 166001224
N-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidine-3-carboxamide
CID 154879117
tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane
CID 142992969
[(2S,3S)-3-propan-2-yloxolan-2-yl]-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 139021283
3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]oxetane-3-carbonitrile
CID 176830109
3-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]piperidine-3-carbonitrile
CID 154788299
(3R,5S)-N-[(7R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3,5-dimethyladamantane-1-carboxamide
CID 124856853
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2,6-dihydroxybenzamide
CID 103890321
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrazole-4-carboxamide
CID 113225212
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)thiophene-2-carboxamide
CID 113223630
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-2-iodobenzamide
CID 112728999
4-tert-butyl-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 115774573

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 139021351) is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is CC1(C)OB(C2=CCN(C(=O)NC3CCN4CCCC4C3)CC2)OC1(C)C.
What is the InChIKey of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is PWNGJYMUSWTLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34BN3O3/c1-19(2)20(3,4)27-21(26-19)15-7-11-24(12-8-15)18(25)22-16-9-13-23-10-5-6-17(23)14-16/h7,16-17H,5-6,8-14H2,1-4H3,(H,22,25).
What are the key properties of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 375.32 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 139021351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).