5-bromo-6-(dimethylamino)-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide

C17H28BrN5O2 — CID 11047938

IUPAC5-bromo-6-(dimethylamino)-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide
SMILESCCN1CCN(C)CC(NC(=O)c2cc(Br)c(N(C)C)nc2OC)C1
InChIInChI=1S/C17H28BrN5O2/c1-6-23-8-7-22(4)10-12(11-23)19-16(24)13-9-14(18)15(21(2)3)20-17(13)25-5/h9,12H,6-8,10-11H2,1-5H3,(H,19,24)
InChIKeyJHFICXQBISNVSL-UHFFFAOYSA-N
MW414.35 g/mol
LogP1.28
Rot. Bonds5

About 5-bromo-6-(dimethylamino)-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide

5-bromo-6-(dimethylamino)-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide (PubChem CID 11047938) has the molecular formula C17H28BrN5O2 and a molecular weight of 414.35 g/mol. Its IUPAC name is 5-bromo-6-(dimethylamino)-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-6-(dimethylamino)-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide
PubChem CID11047938
Molecular FormulaC17H28BrN5O2
Molecular Weight414.35 g/mol
Exact Mass413.14
IUPAC Name5-bromo-6-(dimethylamino)-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide
SMILESCCN1CCN(C)CC(NC(=O)c2cc(Br)c(N(C)C)nc2OC)C1
InChIInChI=1S/C17H28BrN5O2/c1-6-23-8-7-22(4)10-12(11-23)19-16(24)13-9-14(18)15(21(2)3)20-17(13)25-5/h9,12H,6-8,10-11H2,1-5H3,(H,19,24)
InChIKeyJHFICXQBISNVSL-UHFFFAOYSA-N
XLogP1.28
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.35
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-bromo-6-(dimethylamino)-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide with MolForge

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Related Compounds

ROCK inhibitor 3
CID 46182713
5-Bromo-N-(1-ethyl-4-methyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide
CID 21852725
5-Bromo-2-methoxy-6-methylamino-N-(1-methyl-4-propyl-[1,4]diazepan-6-yl)-nicotinamide
CID 44375747
5-Bromo-N-(1,4-diethyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide
CID 10862569
5-Chloro-N-(1,4-diethyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide
CID 10915622
5-Chloro-2-ethoxy-N-(1-ethyl-4-methyl-[1,4]diazepan-6-yl)-6-methylamino-nicotinamide
CID 11760413
5-Bromo-N-(1-ethyl-4-propyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide
CID 44375753
5-Bromo-N-((R)-1-ethyl-4-methyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide
CID 9843910
5-Bromo-N-((S)-1-ethyl-4-methyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide
CID 10894643
6-Amino-5-chloro-N-(1-ethyl-4-methyl-[1,4]diazepan-6-yl)-2-methoxy-nicotinamide
CID 10860791
5-Bromo-2-ethoxy-N-(1-ethyl-4-methyl-[1,4]diazepan-6-yl)-6-methylamino-nicotinamide
CID 10905751
5-Chloro-N-(1,4-dimethyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide
CID 10925901

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(dimethylamino)-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide?
The IUPAC name of 5-bromo-6-(dimethylamino)-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide (CID 11047938) is 5-bromo-6-(dimethylamino)-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-6-(dimethylamino)-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide?
The canonical SMILES for 5-bromo-6-(dimethylamino)-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide is CCN1CCN(C)CC(NC(=O)c2cc(Br)c(N(C)C)nc2OC)C1.
What is the InChIKey of 5-bromo-6-(dimethylamino)-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide?
The InChIKey is JHFICXQBISNVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28BrN5O2/c1-6-23-8-7-22(4)10-12(11-23)19-16(24)13-9-14(18)15(21(2)3)20-17(13)25-5/h9,12H,6-8,10-11H2,1-5H3,(H,19,24).
What are the key properties of 5-bromo-6-(dimethylamino)-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide?
5-bromo-6-(dimethylamino)-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide has a molecular weight of 414.35 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(dimethylamino)-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 11047938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).