N-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide

C23H30BN3O4 — CID 67061351

IUPACN-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide
SMILESCc1c(NC(=O)c2ccnc(N3CCOCC3)c2)cccc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C23H30BN3O4/c1-16-18(24-30-22(2,3)23(4,5)31-24)7-6-8-19(16)26-21(28)17-9-10-25-20(15-17)27-11-13-29-14-12-27/h6-10,15H,11-14H2,1-5H3,(H,26,28)
InChIKeyYOWDPZDMJGMPHX-UHFFFAOYSA-N
MW423.32 g/mol
LogP2.78
Rot. Bonds4

About N-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide

N-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide (PubChem CID 67061351) has the molecular formula C23H30BN3O4 and a molecular weight of 423.32 g/mol. Its IUPAC name is N-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide
PubChem CID67061351
Molecular FormulaC23H30BN3O4
Molecular Weight423.32 g/mol
Exact Mass423.23
IUPAC NameN-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide
SMILESCc1c(NC(=O)c2ccnc(N3CCOCC3)c2)cccc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C23H30BN3O4/c1-16-18(24-30-22(2,3)23(4,5)31-24)7-6-8-19(16)26-21(28)17-9-10-25-20(15-17)27-11-13-29-14-12-27/h6-10,15H,11-14H2,1-5H3,(H,26,28)
InChIKeyYOWDPZDMJGMPHX-UHFFFAOYSA-N
XLogP2.78
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dichlorophenyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 109167430
N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 11258289
2-(4-ethylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-4-carboxamide
CID 109168802
4-tert-butyl-N-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide
CID 58728993
N-(3-aminophenyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 22238130
2-morpholin-4-yl-N-(1,3-oxazol-2-yl)pyridine-4-carboxamide
CID 162429786
N-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-thiazole-2-carboxamide
CID 123868798
N-(2,6-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-4-carboxamide
CID 109174043
4-[8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoquinolin-3-yl]morpholine
CID 147347753
N-(2-hydroxypropyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 84574824
N-(3-fluoro-4-morpholin-4-ylphenyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 46968940
N-(3-morpholin-4-ylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 67061305

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide?
The IUPAC name of N-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide (CID 67061351) is N-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide?
The canonical SMILES for N-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide is Cc1c(NC(=O)c2ccnc(N3CCOCC3)c2)cccc1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of N-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide?
The InChIKey is YOWDPZDMJGMPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30BN3O4/c1-16-18(24-30-22(2,3)23(4,5)31-24)7-6-8-19(16)26-21(28)17-9-10-25-20(15-17)27-11-13-29-14-12-27/h6-10,15H,11-14H2,1-5H3,(H,26,28).
What are the key properties of N-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide?
N-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide has a molecular weight of 423.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide is sourced from PubChem (CID 67061351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).