N-ethyl-2-(methylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide

C15H24BN3O3 — CID 59619673

IUPACN-ethyl-2-(methylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide
SMILESCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cnc1NC
InChIInChI=1S/C15H24BN3O3/c1-7-18-13(20)11-8-10(9-19-12(11)17-6)16-21-14(2,3)15(4,5)22-16/h8-9H,7H2,1-6H3,(H,17,19)(H,18,20)
InChIKeyHDDJTLANDLOFAK-UHFFFAOYSA-N
MW305.19 g/mol
LogP1.17
Rot. Bonds4

About N-ethyl-2-(methylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide

N-ethyl-2-(methylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide (PubChem CID 59619673) has the molecular formula C15H24BN3O3 and a molecular weight of 305.19 g/mol. Its IUPAC name is N-ethyl-2-(methylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(methylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide
PubChem CID59619673
Molecular FormulaC15H24BN3O3
Molecular Weight305.19 g/mol
Exact Mass305.19
IUPAC NameN-ethyl-2-(methylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide
SMILESCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cnc1NC
InChIInChI=1S/C15H24BN3O3/c1-7-18-13(20)11-8-10(9-19-12(11)17-6)16-21-14(2,3)15(4,5)22-16/h8-9H,7H2,1-6H3,(H,17,19)(H,18,20)
InChIKeyHDDJTLANDLOFAK-UHFFFAOYSA-N
XLogP1.17
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.19
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 168299201
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CID 168299237
2,3-dihydro-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 168299629
Nnmt-IN-4
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CID 135502605

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(methylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-ethyl-2-(methylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide (CID 59619673) is N-ethyl-2-(methylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-2-(methylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-2-(methylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide is CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cnc1NC.
What is the InChIKey of N-ethyl-2-(methylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide?
The InChIKey is HDDJTLANDLOFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BN3O3/c1-7-18-13(20)11-8-10(9-19-12(11)17-6)16-21-14(2,3)15(4,5)22-16/h8-9H,7H2,1-6H3,(H,17,19)(H,18,20).
What are the key properties of N-ethyl-2-(methylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide?
N-ethyl-2-(methylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide has a molecular weight of 305.19 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(methylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 59619673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).