N-[5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]butanamide

C16H25BN2O3 — CID 140867496

IUPACN-[5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]butanamide
SMILESCCCC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)c(C)cn1
InChIInChI=1S/C16H25BN2O3/c1-7-8-14(20)19-13-9-12(11(2)10-18-13)17-21-15(3,4)16(5,6)22-17/h9-10H,7-8H2,1-6H3,(H,18,19,20)
InChIKeyWHJDLXKCVPUASP-UHFFFAOYSA-N
MW304.20 g/mol
LogP2.43
Rot. Bonds4

About N-[5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]butanamide

N-[5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]butanamide (PubChem CID 140867496) has the molecular formula C16H25BN2O3 and a molecular weight of 304.20 g/mol. Its IUPAC name is N-[5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]butanamide.

Molecular Properties

Compound NameN-[5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]butanamide
PubChem CID140867496
Molecular FormulaC16H25BN2O3
Molecular Weight304.20 g/mol
Exact Mass304.20
IUPAC NameN-[5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]butanamide
SMILESCCCC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)c(C)cn1
InChIInChI=1S/C16H25BN2O3/c1-7-8-14(20)19-13-9-12(11(2)10-18-13)17-21-15(3,4)16(5,6)22-17/h9-10H,7-8H2,1-6H3,(H,18,19,20)
InChIKeyWHJDLXKCVPUASP-UHFFFAOYSA-N
XLogP2.43
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.20
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]butanamide?
The IUPAC name of N-[5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]butanamide (CID 140867496) is N-[5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]butanamide.
What is the SMILES notation for N-[5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]butanamide?
The canonical SMILES for N-[5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]butanamide is CCCC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)c(C)cn1.
What is the InChIKey of N-[5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]butanamide?
The InChIKey is WHJDLXKCVPUASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BN2O3/c1-7-8-14(20)19-13-9-12(11(2)10-18-13)17-21-15(3,4)16(5,6)22-17/h9-10H,7-8H2,1-6H3,(H,18,19,20).
What are the key properties of N-[5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]butanamide?
N-[5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]butanamide has a molecular weight of 304.20 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]butanamide is sourced from PubChem (CID 140867496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).