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

C18H30BN3O4 — CID 154879117

IUPACN-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)C1
InChIInChI=1S/C18H30BN3O4/c1-17(2)18(3,4)26-19(25-17)14-7-10-21(11-8-14)16(24)22-9-6-13(12-22)15(23)20-5/h7,13H,6,8-12H2,1-5H3,(H,20,23)
InChIKeyBRVPKAUAMAKOJC-UHFFFAOYSA-N
MW363.27 g/mol
LogP1.44
Rot. Bonds2

About 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

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 (PubChem CID 154879117) has the molecular formula C18H30BN3O4 and a molecular weight of 363.27 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidine-3-carboxamide
PubChem CID154879117
Molecular FormulaC18H30BN3O4
Molecular Weight363.27 g/mol
Exact Mass363.23
IUPAC NameN-methyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidine-3-carboxamide
SMILESCNC(=O)C1CCN(C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)C1
InChIInChI=1S/C18H30BN3O4/c1-17(2)18(3,4)26-19(25-17)14-7-10-21(11-8-14)16(24)22-9-6-13(12-22)15(23)20-5/h7,13H,6,8-12H2,1-5H3,(H,20,23)
InChIKeyBRVPKAUAMAKOJC-UHFFFAOYSA-N
XLogP1.44
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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
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
[(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
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
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 166001274
1-acetyl-N-methylpyrrolidine-3-carboxamide;ethane
CID 171808100
(1S)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-ene-1-carboxylic acid
CID 99775026
1-methylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine
CID 67973497
tert-butyl 4-(4,4-dimethyl-1,3,2-dioxaboretan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 58946489
[5-(difluoromethyl)-1,3-dimethylpyrazol-4-yl]-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 139021288
(3S)-N-methyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide
CID 95839704
2-bromoaniline;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;methanethiol
CID 159411259

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC(=O)C1CCN(C(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)C1.
What is the InChIKey of 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?
The InChIKey is BRVPKAUAMAKOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30BN3O4/c1-17(2)18(3,4)26-19(25-17)14-7-10-21(11-8-14)16(24)22-9-6-13(12-22)15(23)20-5/h7,13H,6,8-12H2,1-5H3,(H,20,23).
What are the key properties of 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?
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 has a molecular weight of 363.27 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 154879117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).