5-benzyl-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-1,3,4-oxadiazole-2-carboxamide

C20H19N5O3 — CID 130299049

IUPAC5-benzyl-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-1,3,4-oxadiazole-2-carboxamide
SMILESCN1C(=O)[C@@H](NC(=O)c2nnc(Cc3ccccc3)o2)CCc2cccnc21
InChIInChI=1S/C20H19N5O3/c1-25-17-14(8-5-11-21-17)9-10-15(20(25)27)22-18(26)19-24-23-16(28-19)12-13-6-3-2-4-7-13/h2-8,11,15H,9-10,12H2,1H3,(H,22,26)/t15-/m0/s1
InChIKeyCFGIQCMAQKWLTJ-HNNXBMFYSA-N
MW377.40 g/mol
LogP1.76
Rot. Bonds4

About 5-benzyl-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-1,3,4-oxadiazole-2-carboxamide

5-benzyl-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 130299049) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 5-benzyl-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-benzyl-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID130299049
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name5-benzyl-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-1,3,4-oxadiazole-2-carboxamide
SMILESCN1C(=O)[C@@H](NC(=O)c2nnc(Cc3ccccc3)o2)CCc2cccnc21
InChIInChI=1S/C20H19N5O3/c1-25-17-14(8-5-11-21-17)9-10-15(20(25)27)22-18(26)19-24-23-16(28-19)12-13-6-3-2-4-7-13/h2-8,11,15H,9-10,12H2,1H3,(H,22,26)/t15-/m0/s1
InChIKeyCFGIQCMAQKWLTJ-HNNXBMFYSA-N
XLogP1.76
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-benzyl-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-1,3,4-oxadiazole-2-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

5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,3,4-oxadiazole-2-carboxamide
CID 130299310
5-(4-fluorobenzyl)-N-(3-pyridylmethyl)-1,3,4-oxadiazole-2-carboxamide
CID 5309957
5-[(4-fluorophenyl)methyl]-N-[(2R,4S,5S)-7-methyl-6-oxo-7,9,12-triazatricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-5-yl]-1,3,4-oxadiazole-2-carboxamide
CID 130299424
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-methyl-2-pyridinyl)acetamide
CID 838551
N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)-5-benzyl-1,3,4-oxadiazole-2-carboxamide
CID 56836125
5-benzyl-N-[(2R,4S,5S)-7-methyl-6-oxo-7,9,12-triazatricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-5-yl]-1,3,4-oxadiazole-2-carboxamide
CID 130299033
N-[(7S)-5-methyl-6-oxo-8,9-dihydro-7H-pyrazino[2,3-b]azepin-7-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole-2-carboxamide
CID 130299325
N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-5-(1-phenylcyclopropyl)-1,3,4-oxadiazole-2-carboxamide
CID 130299413
5-benzyl-N-[(2R,3S)-2,5-dimethyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl]-1,3,4-oxadiazole-2-carboxamide
CID 130313937
5-benzyl-N-[(2R,4S,5S)-7-methyl-6-oxo-7,9-diazatricyclo[6.4.0.02,4]dodeca-1(8),9,11-trien-5-yl]-1,3,4-oxadiazole-2-carboxamide
CID 130313942
5-benzyl-N-[(7S)-5-methyl-6-oxo-8,9-dihydro-7H-pyrazino[2,3-b]azepin-7-yl]-1,3,4-oxadiazole-2-carboxamide
CID 130313949
[5-[(2-Chloro-4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 22432240

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-benzyl-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-1,3,4-oxadiazole-2-carboxamide (CID 130299049) is 5-benzyl-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-benzyl-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-benzyl-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-1,3,4-oxadiazole-2-carboxamide is CN1C(=O)[C@@H](NC(=O)c2nnc(Cc3ccccc3)o2)CCc2cccnc21.
What is the InChIKey of 5-benzyl-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is CFGIQCMAQKWLTJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H19N5O3/c1-25-17-14(8-5-11-21-17)9-10-15(20(25)27)22-18(26)19-24-23-16(28-19)12-13-6-3-2-4-7-13/h2-8,11,15H,9-10,12H2,1H3,(H,22,26)/t15-/m0/s1.
What are the key properties of 5-benzyl-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-1,3,4-oxadiazole-2-carboxamide?
5-benzyl-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-N-[(7S)-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 130299049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).