2-[4-[(3-amino-5-bromobenzoyl)amino]cyclohexyl]oxypyridine-3-carboxamide

C19H21BrN4O3 — CID 161335103

IUPAC2-[4-[(3-amino-5-bromobenzoyl)amino]cyclohexyl]oxypyridine-3-carboxamide
SMILESNC(=O)c1cccnc1OC1CCC(NC(=O)c2cc(N)cc(Br)c2)CC1
InChIInChI=1S/C19H21BrN4O3/c20-12-8-11(9-13(21)10-12)18(26)24-14-3-5-15(6-4-14)27-19-16(17(22)25)2-1-7-23-19/h1-2,7-10,14-15H,3-6,21H2,(H2,22,25)(H,24,26)
InChIKeyVLXSYBZNHIYBDQ-UHFFFAOYSA-N
MW433.31 g/mol
LogP2.65
Rot. Bonds5

About 2-[4-[(3-amino-5-bromobenzoyl)amino]cyclohexyl]oxypyridine-3-carboxamide

2-[4-[(3-amino-5-bromobenzoyl)amino]cyclohexyl]oxypyridine-3-carboxamide (PubChem CID 161335103) has the molecular formula C19H21BrN4O3 and a molecular weight of 433.31 g/mol. Its IUPAC name is 2-[4-[(3-amino-5-bromobenzoyl)amino]cyclohexyl]oxypyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[(3-amino-5-bromobenzoyl)amino]cyclohexyl]oxypyridine-3-carboxamide
PubChem CID161335103
Molecular FormulaC19H21BrN4O3
Molecular Weight433.31 g/mol
Exact Mass432.08
IUPAC Name2-[4-[(3-amino-5-bromobenzoyl)amino]cyclohexyl]oxypyridine-3-carboxamide
SMILESNC(=O)c1cccnc1OC1CCC(NC(=O)c2cc(N)cc(Br)c2)CC1
InChIInChI=1S/C19H21BrN4O3/c20-12-8-11(9-13(21)10-12)18(26)24-14-3-5-15(6-4-14)27-19-16(17(22)25)2-1-7-23-19/h1-2,7-10,14-15H,3-6,21H2,(H2,22,25)(H,24,26)
InChIKeyVLXSYBZNHIYBDQ-UHFFFAOYSA-N
XLogP2.65
TPSA120.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.31
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-bromo-N-cyclopentylbenzamide
CID 75537164
N-[4-[(3-carbamoyl-2-pyridinyl)oxy]cyclohexyl]-6-(oxan-4-yloxy)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 130248299
7-(3-aminoazetidin-1-yl)-N-[4-[(3-carbamoyl-2-pyridinyl)oxy]cyclohexyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 137413498
N-[4-[(3-carbamoyl-2-pyridinyl)oxy]cyclohexyl]-2,3-dihydroindole-1-carboxamide
CID 130247548
2-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 124585246
3-bromo-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90633702
N-[4-[(3-cyano-2-pyridinyl)oxy]cyclohexyl]-2-methylbenzamide
CID 136534296
N-[4-[(3-carbamoyl-2-pyridinyl)oxy]cyclohexyl]-6-(2,2,2-trifluoroethoxy)imidazo[1,2-b]pyridazine-2-carboxamide
CID 137413327
N-[4-[(3-carbamoyl-2-pyridinyl)oxy]cyclohexyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 137413326
2-pyrrolidin-3-yloxypyridine-3-carboxamide
CID 62347808
2-[4-[(4-chloro-1,3-benzothiazol-2-yl)amino]cyclohexyl]oxypyridine-3-carboxamide
CID 146622130
2-[6-[(2,5-dimethylpyrazole-3-carbonyl)amino]spiro[3.3]heptan-2-yl]oxypyridine-3-carboxamide
CID 137406181

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-amino-5-bromobenzoyl)amino]cyclohexyl]oxypyridine-3-carboxamide?
The IUPAC name of 2-[4-[(3-amino-5-bromobenzoyl)amino]cyclohexyl]oxypyridine-3-carboxamide (CID 161335103) is 2-[4-[(3-amino-5-bromobenzoyl)amino]cyclohexyl]oxypyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[(3-amino-5-bromobenzoyl)amino]cyclohexyl]oxypyridine-3-carboxamide?
The canonical SMILES for 2-[4-[(3-amino-5-bromobenzoyl)amino]cyclohexyl]oxypyridine-3-carboxamide is NC(=O)c1cccnc1OC1CCC(NC(=O)c2cc(N)cc(Br)c2)CC1.
What is the InChIKey of 2-[4-[(3-amino-5-bromobenzoyl)amino]cyclohexyl]oxypyridine-3-carboxamide?
The InChIKey is VLXSYBZNHIYBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN4O3/c20-12-8-11(9-13(21)10-12)18(26)24-14-3-5-15(6-4-14)27-19-16(17(22)25)2-1-7-23-19/h1-2,7-10,14-15H,3-6,21H2,(H2,22,25)(H,24,26).
What are the key properties of 2-[4-[(3-amino-5-bromobenzoyl)amino]cyclohexyl]oxypyridine-3-carboxamide?
2-[4-[(3-amino-5-bromobenzoyl)amino]cyclohexyl]oxypyridine-3-carboxamide has a molecular weight of 433.31 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-amino-5-bromobenzoyl)amino]cyclohexyl]oxypyridine-3-carboxamide is sourced from PubChem (CID 161335103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).