(5R)-N-[(3S)-5-methyl-4-oxo-2,3,6,7,8,9-hexahydro-1,5-benzoxazepin-3-yl]-5-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide

C20H29N5O3 — CID 155480425

IUPAC(5R)-N-[(3S)-5-methyl-4-oxo-2,3,6,7,8,9-hexahydro-1,5-benzoxazepin-3-yl]-5-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
SMILESCCC[C@@H]1CCCc2nc(C(=O)N[C@H]3COC4=C(CCCC4)N(C)C3=O)nn21
InChIInChI=1S/C20H29N5O3/c1-3-7-13-8-6-11-17-22-18(23-25(13)17)19(26)21-14-12-28-16-10-5-4-9-15(16)24(2)20(14)27/h13-14H,3-12H2,1-2H3,(H,21,26)/t13-,14+/m1/s1
InChIKeyQROXKWCGHGQREQ-KGLIPLIRSA-N
MW387.48 g/mol
LogP2.33
Rot. Bonds4

About (5R)-N-[(3S)-5-methyl-4-oxo-2,3,6,7,8,9-hexahydro-1,5-benzoxazepin-3-yl]-5-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide

(5R)-N-[(3S)-5-methyl-4-oxo-2,3,6,7,8,9-hexahydro-1,5-benzoxazepin-3-yl]-5-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 155480425) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is (5R)-N-[(3S)-5-methyl-4-oxo-2,3,6,7,8,9-hexahydro-1,5-benzoxazepin-3-yl]-5-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name(5R)-N-[(3S)-5-methyl-4-oxo-2,3,6,7,8,9-hexahydro-1,5-benzoxazepin-3-yl]-5-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
PubChem CID155480425
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC Name(5R)-N-[(3S)-5-methyl-4-oxo-2,3,6,7,8,9-hexahydro-1,5-benzoxazepin-3-yl]-5-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
SMILESCCC[C@@H]1CCCc2nc(C(=O)N[C@H]3COC4=C(CCCC4)N(C)C3=O)nn21
InChIInChI=1S/C20H29N5O3/c1-3-7-13-8-6-11-17-22-18(23-25(13)17)19(26)21-14-12-28-16-10-5-4-9-15(16)24(2)20(14)27/h13-14H,3-12H2,1-2H3,(H,21,26)/t13-,14+/m1/s1
InChIKeyQROXKWCGHGQREQ-KGLIPLIRSA-N
XLogP2.33
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5R)-N-[(3S)-5-methyl-4-oxo-2,3,6,7,8,9-hexahydro-1,5-benzoxazepin-3-yl]-5-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(5S)-N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)-5-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 156678091
(5S)-N-[(3S)-6,8-difluoro-9-methyl-4-oxo-3,5,8,9-tetrahydro-2H-1,5-benzoxazepin-3-yl]-5-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 155480178
N-(8-bromo-5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)-5-methyl-4-phenylpyrimidine-2-carboxamide
CID 156843129
N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)-5-(3-phenyloxetan-3-yl)-1H-1,2,4-triazole-3-carboxamide
CID 140802441
5-(2,3-dihydro-1H-inden-1-yl)-N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)-1H-1,2,4-triazole-3-carboxamide
CID 174232330
5-benzyl-N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)-1H-1,2,4-triazole-3-carboxamide;methoxycyclopentane
CID 122456186
5-benzyl-N-[(3S)-7-(3-hydroxypropyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
CID 146225875
5-benzyl-N-[(6R)-2,4-dimethyl-5-oxo-3,6,7,8-tetrahydro-1H-pyrazolo[4,3-b]azepin-6-yl]-1H-1,2,4-triazole-3-carboxamide
CID 134255325
5-benzyl-N-[(3S)-7-(4-hydroxybutyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide
CID 146225850
5-benzyl-N-(8-cyclopropyl-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl)-1H-1,2,4-triazole-3-carboxamide
CID 118557479
N-[(3S)-7-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-ylmethyl)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-methyl-4-phenylpyrimidine-2-carboxamide
CID 168751293
(3S)-3-amino-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;5-methyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1H-1,2,4-triazole-3-carboxamide;5-methyl-1H-1,2,4-triazole-3-carboxylic acid;hydrochloride
CID 159310214

Frequently Asked Questions

What is the IUPAC name of (5R)-N-[(3S)-5-methyl-4-oxo-2,3,6,7,8,9-hexahydro-1,5-benzoxazepin-3-yl]-5-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of (5R)-N-[(3S)-5-methyl-4-oxo-2,3,6,7,8,9-hexahydro-1,5-benzoxazepin-3-yl]-5-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide (CID 155480425) is (5R)-N-[(3S)-5-methyl-4-oxo-2,3,6,7,8,9-hexahydro-1,5-benzoxazepin-3-yl]-5-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for (5R)-N-[(3S)-5-methyl-4-oxo-2,3,6,7,8,9-hexahydro-1,5-benzoxazepin-3-yl]-5-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for (5R)-N-[(3S)-5-methyl-4-oxo-2,3,6,7,8,9-hexahydro-1,5-benzoxazepin-3-yl]-5-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide is CCC[C@@H]1CCCc2nc(C(=O)N[C@H]3COC4=C(CCCC4)N(C)C3=O)nn21.
What is the InChIKey of (5R)-N-[(3S)-5-methyl-4-oxo-2,3,6,7,8,9-hexahydro-1,5-benzoxazepin-3-yl]-5-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is QROXKWCGHGQREQ-KGLIPLIRSA-N. The full InChI is InChI=1S/C20H29N5O3/c1-3-7-13-8-6-11-17-22-18(23-25(13)17)19(26)21-14-12-28-16-10-5-4-9-15(16)24(2)20(14)27/h13-14H,3-12H2,1-2H3,(H,21,26)/t13-,14+/m1/s1.
What are the key properties of (5R)-N-[(3S)-5-methyl-4-oxo-2,3,6,7,8,9-hexahydro-1,5-benzoxazepin-3-yl]-5-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
(5R)-N-[(3S)-5-methyl-4-oxo-2,3,6,7,8,9-hexahydro-1,5-benzoxazepin-3-yl]-5-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[(3S)-5-methyl-4-oxo-2,3,6,7,8,9-hexahydro-1,5-benzoxazepin-3-yl]-5-propyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 155480425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).