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

C18H28BrN5O2 — CID 11144379

IUPAC5-bromo-N-(1-cyclopropyl-4-ethyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide
SMILESCCN1CCN(C2CC2)CC(NC(=O)c2cc(Br)c(NC)nc2OC)C1
InChIInChI=1S/C18H28BrN5O2/c1-4-23-7-8-24(13-5-6-13)11-12(10-23)21-17(25)14-9-15(19)16(20-2)22-18(14)26-3/h9,12-13H,4-8,10-11H2,1-3H3,(H,20,22)(H,21,25)
InChIKeyITOLVCPWKOHYDJ-UHFFFAOYSA-N
MW426.36 g/mol
LogP1.79
Rot. Bonds6

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

5-bromo-N-(1-cyclopropyl-4-ethyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide (PubChem CID 11144379) has the molecular formula C18H28BrN5O2 and a molecular weight of 426.36 g/mol. Its IUPAC name is 5-bromo-N-(1-cyclopropyl-4-ethyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-cyclopropyl-4-ethyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide
PubChem CID11144379
Molecular FormulaC18H28BrN5O2
Molecular Weight426.36 g/mol
Exact Mass425.14
IUPAC Name5-bromo-N-(1-cyclopropyl-4-ethyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide
SMILESCCN1CCN(C2CC2)CC(NC(=O)c2cc(Br)c(NC)nc2OC)C1
InChIInChI=1S/C18H28BrN5O2/c1-4-23-7-8-24(13-5-6-13)11-12(10-23)21-17(25)14-9-15(19)16(20-2)22-18(14)26-3/h9,12-13H,4-8,10-11H2,1-3H3,(H,20,22)(H,21,25)
InChIKeyITOLVCPWKOHYDJ-UHFFFAOYSA-N
XLogP1.79
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-bromo-N-(1-cyclopropyl-4-ethyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide with MolForge

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Related Compounds

5-chloro-N-[(6R)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-2-methoxy-6-(methylamino)pyridine-3-carboxamide
CID 11810408
4-bromo-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide
CID 154302788
N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-5-iodo-2-methoxy-4-(methylamino)benzamide
CID 10095069
N-[(6R)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-5-iodo-2-methoxy-4-(methylamino)benzamide
CID 10884781
5-bromo-N-(1,2-diethylpyrazolidin-4-yl)-2,4-dimethoxybenzamide;hydrate
CID 70452963
bis(5-bromo-N-(1,2-diethylpyrazolidin-4-yl)-2,4-dimethoxybenzamide);hydrate
CID 70452962
N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-5-iodo-2-methoxybenzamide
CID 10873444
N-(1-ethylpiperidin-3-yl)-2-hydroxy-5-methoxybenzamide
CID 61150287
N-(1-ethylpiperidin-3-yl)-2-hydroxy-4-methoxybenzamide
CID 61151217
6-chloro-N-(1-cyclohexylpyrrolidin-3-yl)-5-(ethylamino)-3-methoxypyrazine-2-carboxamide
CID 21419062
1-cyclopropyl-N-(1-ethyl-azacyclododec-3-yl)-6-methoxybenzotriazole-5-carboxamide
CID 139745502
2,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide
CID 114371806

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-cyclopropyl-4-ethyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(1-cyclopropyl-4-ethyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide (CID 11144379) is 5-bromo-N-(1-cyclopropyl-4-ethyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-cyclopropyl-4-ethyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(1-cyclopropyl-4-ethyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide is CCN1CCN(C2CC2)CC(NC(=O)c2cc(Br)c(NC)nc2OC)C1.
What is the InChIKey of 5-bromo-N-(1-cyclopropyl-4-ethyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide?
The InChIKey is ITOLVCPWKOHYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrN5O2/c1-4-23-7-8-24(13-5-6-13)11-12(10-23)21-17(25)14-9-15(19)16(20-2)22-18(14)26-3/h9,12-13H,4-8,10-11H2,1-3H3,(H,20,22)(H,21,25).
What are the key properties of 5-bromo-N-(1-cyclopropyl-4-ethyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide?
5-bromo-N-(1-cyclopropyl-4-ethyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide has a molecular weight of 426.36 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-cyclopropyl-4-ethyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 11144379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).