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

C16H26BrN5O2 — CID 154302788

IUPAC4-bromo-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide
SMILESCCN1CCN(C)CC(NC(=O)c2c(Br)cc(NC)nc2OC)C1
InChIInChI=1S/C16H26BrN5O2/c1-5-22-7-6-21(3)9-11(10-22)19-15(23)14-12(17)8-13(18-2)20-16(14)24-4/h8,11H,5-7,9-10H2,1-4H3,(H,18,20)(H,19,23)
InChIKeyWLLOYJODGWGESL-UHFFFAOYSA-N
MW400.32 g/mol
LogP1.26
Rot. Bonds5

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

4-bromo-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide (PubChem CID 154302788) has the molecular formula C16H26BrN5O2 and a molecular weight of 400.32 g/mol. Its IUPAC name is 4-bromo-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide
PubChem CID154302788
Molecular FormulaC16H26BrN5O2
Molecular Weight400.32 g/mol
Exact Mass399.13
IUPAC Name4-bromo-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide
SMILESCCN1CCN(C)CC(NC(=O)c2c(Br)cc(NC)nc2OC)C1
InChIInChI=1S/C16H26BrN5O2/c1-5-22-7-6-21(3)9-11(10-22)19-15(23)14-12(17)8-13(18-2)20-16(14)24-4/h8,11H,5-7,9-10H2,1-4H3,(H,18,20)(H,19,23)
InChIKeyWLLOYJODGWGESL-UHFFFAOYSA-N
XLogP1.26
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide?
The IUPAC name of 4-bromo-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide (CID 154302788) is 4-bromo-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 4-bromo-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide is CCN1CCN(C)CC(NC(=O)c2c(Br)cc(NC)nc2OC)C1.
What is the InChIKey of 4-bromo-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide?
The InChIKey is WLLOYJODGWGESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN5O2/c1-5-22-7-6-21(3)9-11(10-22)19-15(23)14-12(17)8-13(18-2)20-16(14)24-4/h8,11H,5-7,9-10H2,1-4H3,(H,18,20)(H,19,23).
What are the key properties of 4-bromo-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide?
4-bromo-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide has a molecular weight of 400.32 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 154302788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).