5-bromo-2-ethoxy-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-6-(methylamino)pyridine-3-carboxamide

C17H28BrN5O2 — CID 10905751

IUPAC5-bromo-2-ethoxy-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-6-(methylamino)pyridine-3-carboxamide
SMILESCCOc1nc(NC)c(Br)cc1C(=O)NC1CN(C)CCN(CC)C1
InChIInChI=1S/C17H28BrN5O2/c1-5-23-8-7-22(4)10-12(11-23)20-16(24)13-9-14(18)15(19-3)21-17(13)25-6-2/h9,12H,5-8,10-11H2,1-4H3,(H,19,21)(H,20,24)
InChIKeyRLOUIRHFOPUGAP-UHFFFAOYSA-N
MW414.35 g/mol
LogP1.65
Rot. Bonds6

About 5-bromo-2-ethoxy-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-6-(methylamino)pyridine-3-carboxamide

5-bromo-2-ethoxy-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-6-(methylamino)pyridine-3-carboxamide (PubChem CID 10905751) has the molecular formula C17H28BrN5O2 and a molecular weight of 414.35 g/mol. Its IUPAC name is 5-bromo-2-ethoxy-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-6-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-ethoxy-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-6-(methylamino)pyridine-3-carboxamide
PubChem CID10905751
Molecular FormulaC17H28BrN5O2
Molecular Weight414.35 g/mol
Exact Mass413.14
IUPAC Name5-bromo-2-ethoxy-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-6-(methylamino)pyridine-3-carboxamide
SMILESCCOc1nc(NC)c(Br)cc1C(=O)NC1CN(C)CCN(CC)C1
InChIInChI=1S/C17H28BrN5O2/c1-5-23-8-7-22(4)10-12(11-23)20-16(24)13-9-14(18)15(19-3)21-17(13)25-6-2/h9,12H,5-8,10-11H2,1-4H3,(H,19,21)(H,20,24)
InChIKeyRLOUIRHFOPUGAP-UHFFFAOYSA-N
XLogP1.65
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxy-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-6-(methylamino)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-ethoxy-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-6-(methylamino)pyridine-3-carboxamide (CID 10905751) is 5-bromo-2-ethoxy-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-6-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-ethoxy-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-6-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-ethoxy-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-6-(methylamino)pyridine-3-carboxamide is CCOc1nc(NC)c(Br)cc1C(=O)NC1CN(C)CCN(CC)C1.
What is the InChIKey of 5-bromo-2-ethoxy-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-6-(methylamino)pyridine-3-carboxamide?
The InChIKey is RLOUIRHFOPUGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrN5O2/c1-5-23-8-7-22(4)10-12(11-23)20-16(24)13-9-14(18)15(19-3)21-17(13)25-6-2/h9,12H,5-8,10-11H2,1-4H3,(H,19,21)(H,20,24).
What are the key properties of 5-bromo-2-ethoxy-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-6-(methylamino)pyridine-3-carboxamide?
5-bromo-2-ethoxy-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-6-(methylamino)pyridine-3-carboxamide has a molecular weight of 414.35 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethoxy-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-6-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 10905751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).