N-pyridin-4-yl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide

C21H17F3N4O2 — CID 67170840

IUPACN-pyridin-4-yl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide
SMILESO=C(Nc1ccncc1)N1CCCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C21H17F3N4O2/c22-21(23,24)15-4-1-3-14(13-15)17-5-6-18-19(27-17)28(11-2-12-30-18)20(29)26-16-7-9-25-10-8-16/h1,3-10,13H,2,11-12H2,(H,25,26,29)
InChIKeyVOAMZHYYGIFKDD-UHFFFAOYSA-N
MW414.39 g/mol
LogP4.98
Rot. Bonds2

About N-pyridin-4-yl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide

N-pyridin-4-yl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide (PubChem CID 67170840) has the molecular formula C21H17F3N4O2 and a molecular weight of 414.39 g/mol. Its IUPAC name is N-pyridin-4-yl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide.

Molecular Properties

Compound NameN-pyridin-4-yl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide
PubChem CID67170840
Molecular FormulaC21H17F3N4O2
Molecular Weight414.39 g/mol
Exact Mass414.13
IUPAC NameN-pyridin-4-yl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide
SMILESO=C(Nc1ccncc1)N1CCCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C21H17F3N4O2/c22-21(23,24)15-4-1-3-14(13-15)17-5-6-18-19(27-17)28(11-2-12-30-18)20(29)26-16-7-9-25-10-8-16/h1,3-10,13H,2,11-12H2,(H,25,26,29)
InChIKeyVOAMZHYYGIFKDD-UHFFFAOYSA-N
XLogP4.98
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-pyridin-4-yl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-N-pyridin-4-yl-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
CID 53233342
N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 53233230
N-pyrimidin-5-yl-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118124647
N-(3-phenylphenyl)-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118125146
N-(2,6-dimethyl-4-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 53233781
N-(3-acetylphenyl)-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118125184
7-(3-chlorophenyl)-N-(2-methyl-1H-pyrazol-2-ium-4-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide
CID 163463931
methyl 3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]benzoate
CID 58346088
2-[3-[4-(phenylcarbamoyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]phenyl]acetic acid
CID 58346077
N-[3-[3-(trifluoromethyl)diaziridin-3-yl]phenyl]-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118133066
N-(3-fluoro-4-pyridinyl)-2-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrido[2,3-b][1,4]diazocine-10-carboxamide
CID 118124666
N-(2-bromo-6-methyl-4-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118132992

Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-yl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide?
The IUPAC name of N-pyridin-4-yl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide (CID 67170840) is N-pyridin-4-yl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide.
What is the SMILES notation for N-pyridin-4-yl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide?
The canonical SMILES for N-pyridin-4-yl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide is O=C(Nc1ccncc1)N1CCCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21.
What is the InChIKey of N-pyridin-4-yl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide?
The InChIKey is VOAMZHYYGIFKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O2/c22-21(23,24)15-4-1-3-14(13-15)17-5-6-18-19(27-17)28(11-2-12-30-18)20(29)26-16-7-9-25-10-8-16/h1,3-10,13H,2,11-12H2,(H,25,26,29).
What are the key properties of N-pyridin-4-yl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide?
N-pyridin-4-yl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide has a molecular weight of 414.39 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-yl-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepine-5-carboxamide is sourced from PubChem (CID 67170840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).