6-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,N-dimethylpyridine-2-carboxamide

C17H18ClN3O2 — CID 131935318

IUPAC6-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cccc(N2CCOc3ccc(Cl)cc3C2)n1
InChIInChI=1S/C17H18ClN3O2/c1-20(2)17(22)14-4-3-5-16(19-14)21-8-9-23-15-7-6-13(18)10-12(15)11-21/h3-7,10H,8-9,11H2,1-2H3
InChIKeyGUWUUMJXOBIYKW-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.84
Rot. Bonds2

About 6-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,N-dimethylpyridine-2-carboxamide

6-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,N-dimethylpyridine-2-carboxamide (PubChem CID 131935318) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 6-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,N-dimethylpyridine-2-carboxamide
PubChem CID131935318
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name6-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cccc(N2CCOc3ccc(Cl)cc3C2)n1
InChIInChI=1S/C17H18ClN3O2/c1-20(2)17(22)14-4-3-5-16(19-14)21-8-9-23-15-7-6-13(18)10-12(15)11-21/h3-7,10H,8-9,11H2,1-2H3
InChIKeyGUWUUMJXOBIYKW-UHFFFAOYSA-N
XLogP2.84
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,N-dimethylpyridine-2-carboxamide with MolForge

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Related Compounds

2-[6-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-methylpyrimidin-4-yl]ethanamine
CID 56711975
4-(6-chloro-2-pyridinyl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 55214156
9-[6-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyridine-2-carbonyl]-N-cyclopropyl-3-thia-9-azatricyclo[8.5.0.02,6]pentadeca-1(15),2(6),10,13-tetraene-4-carboxamide
CID 167045667
4-chloro-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)benzoic acid
CID 63190582
7-chloro-N-(3-methyl-1,2,4-thiadiazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 46994855
2-N,2-N,6-N,6-N-tetramethylpyridine-2,6-dicarboxamide
CID 10955130
7-chloro-N-(4-hydroxybutyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 122566912
7-chloro-N-(1-ethyl-1,2,4-triazol-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 46997360
morpholin-4-yl-(6-morpholin-4-yl-2-pyridinyl)methanone
CID 84575028
6-[4-(2-fluorophenoxy)piperidin-1-yl]-N,N-dimethylpyridine-2-carboxamide
CID 131933454
4-chloro-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)aniline
CID 115468958
12,26-dichloro-16,19,22-triethyl-2,5,8-trioxa-16,19,22-triazatricyclo[22.4.0.09,14]octacosa-1(24),9(14),10,12,25,27-hexaene
CID 10554394

Frequently Asked Questions

What is the IUPAC name of 6-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 6-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,N-dimethylpyridine-2-carboxamide (CID 131935318) is 6-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 6-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 6-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,N-dimethylpyridine-2-carboxamide is CN(C)C(=O)c1cccc(N2CCOc3ccc(Cl)cc3C2)n1.
What is the InChIKey of 6-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is GUWUUMJXOBIYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-20(2)17(22)14-4-3-5-16(19-14)21-8-9-23-15-7-6-13(18)10-12(15)11-21/h3-7,10H,8-9,11H2,1-2H3.
What are the key properties of 6-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,N-dimethylpyridine-2-carboxamide?
6-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 131935318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).